Pyrazinamide

C₅H₅N₃OCAS 98-96-4123.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅N₃O
Molar mass: 123.11 g/mol
Exact mass: 123.0433 Da
Density: 1.45 g/mL
Melting point: 192 °C
pKa: 0.5
Water solubility: 15 g/L
logP: 0.36Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H310 Fatal in contact with skin92.9% of notifiers
H315 Causes skin irritation92.9% of notifiers
H330 Fatal if inhaled92.9% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P302+P352, P304+P340, P316, P320, P321, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98-96-4

SMILES

N=C(O)c1cnccn1

InChIKey

IPEHBUMCGVEMRF-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

29 names · show all

2-Pyrazinecarboxamide
Pyrazinecarboxamide
D 50
MK 56
Aldinamid
2-Carbamylpyrazine
Eprazin
Pyrazine carboxylamide
Pyrazinoic acid amide
Tebrazid
Aldinamide
Zinamide
Unipyranamide
Pyrazinecarboxylic acid amide
Pirazinamid
Novamid
Pirazimida
Farmizina
Pyrafat
2-Carboxamidopyrazine
α-Pyrazinamide
2-(Aminocarbonyl)pyrazine
NSC 14911
Pyrazide
Isopas
Rifafour e-200
Rifcin
Rozide
Pyramizade

Work with Pyrazinamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Pyridinecarboxamide1452-77-353 % similar Pyrazinoic acid98-97-553 % similar Pyrazine-2,3-dicarboxamide6164-78-952 % similar Pyrazine-2-carboxamidine hydrochloride138588-41-750 % similar Pyrazine-2-carboxylic acid hydrazide768-05-848 % similar Nicotinamide98-92-047 % similar 2-Pyrazinecarbonyl chloride19847-10-044 % similar Acetylpyrazine22047-25-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminopyrimidine-5-carbaldehyde120747-84-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook