Pyrazinamide

CAS Number: 98-96-4

Molecular Mass: 123.11 g/mol

Formula: C₅H₅N₃O

Smiles: NC(=O)c1cnccn1

Synonymes:

Pyrazinamide, pyrazinamide, pyrazinecarboxamide, 98-96-4, pyrazine-2-carboxamide, Zinamide, Aldinamide, Tebrazid, pyrazinoic acid amide, Aldinamid, Farmizina, Pirazimida, Pirazinamid, Unipyranamide, Eprazin, Novamid, Pyrafat, pyrazine carboxylamide, Pyrazineamide, Isopas, 2-Carbamylpyrazine, Pyrazinecarboxylic acid amide, Pirazinamida, Pyrazinamidum, Pyrazide, Rozide, Pirazinamide, Pyrazine carboxamide, pyramizade, MK 56, NCI-C01785, DTXSID9021215, MK-56, 2KNI5N06TI, NSC-14911, NSC14911, pyrazine-2-carboximidic acid, DTXCID801215, CHEBI:45285, 5-25-04-00178 (Beilstein Handbook Reference), alpha-pyrazinamide, pyrazinamide tablet, RefChem:6182, J04AK01, 202-717-6, Pirilene, 2-Pyrazinecarboxamide, D-50, PZA, MFCD00006132, NSC 14911, .alpha.-pyrazinamide, Tisamid, T 165, Pyrazinamide (Pyrazinoic acid amide), MLS000069730, Pezetamid, Piraldina, s1762, NCGC00015833-09, Pyrazinamdie, SMR000036662, Pirazinamide [DCIT], Pyrazinamidum [INN-Latin], Pirazinamida [INN-Spanish], Rifafour, D-50 (VAN), DRG 0124, CAS-98-96-4, CCRIS 545, Rifafour e-200, HSDB 3576, SR-01000076077, EINECS 202-717-6, UNII-2KNI5N06TI, BRN 0112306, pyrazinamida, Pyrizinamide, pyrazine amide, Pyrazinamide RS, Pyrazinamide CRS, Pyrazine-2-carboxylic acid amide, Pirazinecarboxamide, Pyrazinamide [USP:INN:BAN:JAN], Prestwick_811, Pyranzinoic acid amide, 2-pyrazine carboxamide, Spectrum_000902, Pyrazinamide (Standard), Opera_ID_735, pyrazine, 2-carbamoyl-, Prestwick0_000514, Prestwick1_000514, Prestwick2_000514, Prestwick3_000514, Spectrum2_001305, Spectrum3_001046, Spectrum4_001186, Spectrum5_001026, Lopac-P-7136, PYRAZINAMIDE [MI], PYRAZINAMIDE [INN], PYRAZINAMIDE [JAN], CHEMBL614, P 7136, PYRAZINAMIDE [HSDB], WLN: T6N DNJ BVZ, PYRAZINAMIDE [VANDF], Lopac0_001011, SCHEMBL24102, BSPBio_000467, BSPBio_002572, KBioGR_001851, KBioSS_001382, PYRAZINAMIDE [MART.], MLS002222347, BIDD:GT0228, DivK1c_000241, PYRAZINAMIDE [USP-RS], PYRAZINAMIDE [WHO-DD], PYRAZINAMIDE [WHO-IP], SCHEMBL733102, SCHEMBL956745, SPECTRUM1500518, SPBio_001369, SPBio_002388, BPBio1_000515, GTPL7287, orb1308657, orb3025148, SCHEMBL2438217, SCHEMBL4931800, SCHEMBL29408106, HMS500M03, HY-B0271R, KBio1_000241, KBio2_001382, KBio2_003950, KBio2_006518, KBio3_001792, Pyrazinamide (JP18/USP/INN), NINDS_000241, BDBM228814, HMS1569H09, HMS1920N08, HMS2092E09, HMS2096H09, HMS2235G17, HMS3259O04, HMS3263K03, HMS3371G09, HMS3655A10, HMS3713H09, HMS5080I03, KUC109577N, Pharmakon1600-01500518, PYRAZINAMIDE [ORANGE BOOK], PYRAZINAMIDE [EP MONOGRAPH], PYRAZINAMIDE [USP IMPURITY], ALBB-038645, HY-B0271, KSC-27-052E, WZB81781, PYRAZINAMIDE [USP MONOGRAPH], Tox21_110237, Tox21_202059, Tox21_302771, Tox21_501011, CCG-39243, EBC-03189, MSK000777, NSC757304, PYRAZINAMIDUM [WHO-IP LATIN], RIFATER COMPONENT PYRAZINAMIDE, SBB004276, STK801661, AKOS000120280, Tox21_110237_1, AP27270, DB00339, LP01011, NC00534, NSC-757304, Pyrazinecarboxamide, analytical standard, SDCCGSBI-0050984.P005, IDI1_000241, NCGC00015833-01, NCGC00015833-02, NCGC00015833-03, NCGC00015833-04, NCGC00015833-05, NCGC00015833-06, NCGC00015833-07, NCGC00015833-08, NCGC00015833-10, NCGC00015833-11, NCGC00015833-12, NCGC00015833-15, NCGC00015833-16, NCGC00015833-25, NCGC00090695-01, NCGC00090695-03, NCGC00090695-04, NCGC00090695-05, NCGC00090695-06, NCGC00090695-07, NCGC00256336-01, NCGC00259608-01, NCGC00261696-01, Pyrazinoic acid amide, pyrazinamide, PZA, CAS- 98-96-4, SY013550, TS-01626, SBI-0050984.P004, DB-002866, AB00052083, EU-0101011, NS00010008, P0633, ST45022155, SW196945-3, EN300-15621, C01956, D00144, D70481, AB00052083-16, AB00052083_17, AB00052083_18, AC-907/25014068, F068696, Q417571, SR-01000076077-1, SR-01000076077-4, SR-01000076077-6, BRD-K28667793-001-27-3, BRD-K28667793-001-28-1, Z33546644, Pyrazinamide, British Pharmacopoeia (BP) Reference Standard, Pyrazinamide, European Pharmacopoeia (EP) Reference Standard, Pyrazinamide, United States Pharmacopeia (USP) Reference Standard, InChI=1/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9, Pyrazinamide, Pharmaceutical Secondary Standard, Certified Reference Material

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	293.15	-	10.47	[429]
1,4-Dioxane	303.15	-	15.52	[429]
1,4-Dioxane	313.15	-	19.8	[429]
1,4-Dioxane	323.15	-	28.83	[429]
1,4-Dioxane	333.15	-	40.55	[429]
1-Butanol	278.15	-	1.054	[430]
1-Butanol	283.15	-	1.572	[430]
1-Butanol	288.15	-	2.001	[430]
1-Butanol	293.15	-	2.59	[430]
1-Butanol	298.15	-	3.179	[430]
1-Butanol	303.15	-	4.13	[430]
1-Butanol	308.15	-	5.266	[430]
1-Butanol	313.15	-	6.795	[430]
1-Butanol	318.15	-	8.229	[430]
1-Butanol	323.15	-	9.627	[430]
1-Propanol	278.15	-	1.297	[430]
1-Propanol	283.15	-	2.045	[430]
1-Propanol	288.15	-	2.404	[430]
1-Propanol	293.15	-	2.96	[430]
1-Propanol	298.15	-	4.028	[430]
1-Propanol	303.15	-	4.857	[430]
1-Propanol	308.15	-	6.406	[430]
1-Propanol	313.15	-	8.16	[430]
1-Propanol	318.15	-	9.943	[430]
1-Propanol	323.15	-	11.36	[430]
2-Butanol	278.15	-	0.722	[430]
2-Butanol	283.15	-	1.1	[430]
2-Butanol	288.15	-	1.461	[430]
2-Butanol	293.15	-	2.006	[430]
2-Butanol	298.15	-	2.508	[430]
2-Butanol	303.15	-	3.351	[430]
2-Butanol	308.15	-	4.389	[430]
2-Butanol	313.15	-	5.721	[430]
2-Butanol	318.15	-	7.398	[430]
2-Butanol	323.15	-	9.078	[430]
Acetone	278.15	-	4.269	[430]
Acetone	283.15	-	4.151	[429]
Acetone	283.15	-	5.184	[430]
Acetone	288.15	-	6.055	[430]
Acetone	293.15	-	6.495	[429]
Acetone	293.15	-	7.13	[430]
Acetone	298.15	-	8.272	[430]
Acetone	303.15	-	9.683	[429]
Acetone	303.15	-	9.539	[430]
Acetone	308.15	-	11.12	[430]
Acetone	313.15	-	12.6	[429]
Acetone	313.15	-	12.86	[430]
Acetone	318.15	-	14.6	[430]
Acetone	323.15	-	18.76	[429]
Acetone	323.15	-	15.78	[430]
Acetonitrile	278.15	-	3.01	[430]
Acetonitrile	283.15	-	3.872	[430]
Acetonitrile	288.15	-	4.844	[430]
Acetonitrile	293.15	-	5.833	[430]
Acetonitrile	298.15	-	6.859	[430]
Acetonitrile	303.15	-	8.155	[430]
Acetonitrile	308.15	-	9.68	[430]
Acetonitrile	313.15	-	11.39	[430]
Acetonitrile	318.15	-	13.21	[430]
Acetonitrile	323.15	-	14.33	[430]
Ethyl acetate	278.15	-	2.055	[430]
Ethyl acetate	283.15	-	2.801	[430]
Ethyl acetate	288.15	-	3.049	[430]
Ethyl acetate	293.15	-	3.936	[430]
Ethyl acetate	298.15	-	4.385	[430]
Ethyl acetate	303.15	-	5.18	[430]
Ethyl acetate	308.15	-	5.881	[430]
Ethyl acetate	313.15	-	7.155	[430]
Ethyl acetate	318.15	-	8.15	[430]
Ethyl acetate	323.15	-	9.427	[430]
Isopropanol	278.15	-	1.013	[430]
Isopropanol	283.15	-	1.585	[430]
Isopropanol	288.15	-	2.204	[430]
Isopropanol	293.15	-	2.923	[430]
Isopropanol	298.15	-	3.592	[430]
Isopropanol	303.15	-	4.448	[430]
Isopropanol	308.15	-	5.802	[430]
Isopropanol	313.15	-	7.375	[430]
Isopropanol	318.15	-	9.036	[430]
Isopropanol	323.15	-	10.83	[430]
Methanol	278.15	-	6.442	[430]
Methanol	283.15	-	8.254	[429]
Methanol	283.15	-	8.177	[430]
Methanol	288.15	-	10.05	[430]
Methanol	293.15	-	12.15	[429]
Methanol	293.15	-	11.72	[430]
Methanol	298.15	-	14.26	[430]
Methanol	303.15	-	17.71	[429]
Methanol	303.15	-	17.01	[430]
Methanol	308.15	-	21.34	[430]
Methanol	313.15	-	25.7	[429]
Methanol	313.15	-	24.76	[430]
Methanol	318.15	-	29.87	[430]
Methanol	323.15	-	36.33	[429]
Water	278.15	-	7.169	[430]
Water	283.15	-	8.975	[430]
Water	288.15	-	11.52	[430]
Water	293.15	-	13.27	[430]
Water	298.15	-	16.36	[430]
Water	303.15	-	19.37	[430]
Water	308.15	-	24.69	[430]
Water	313.15	-	28.67	[430]
Water	318.15	-	35.44	[430]
Water	323.15	-	41.0	[430]

Molecule 3D descriptors

Descriptor	Value
PMI1	128.7744
PMI2	392.8926
PMI3	521.6670
NPR1	0.2469
NPR2	0.7531
RadiusOfGyration	2.0585
InertialShapeFactor	0.0058
Eccentricity	0.9691
Asphericity	0.4423
SpherocityIndex	0.0000
PBF	0.0000