Molecule ID: 1047

IUPAC Name: pyrazine-2-carboxylic acid

Description: The molecule is the parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. It has a role as a drug metabolite and an antitubercular agent. It is a conjugate acid of a pyrazine-2-carboxylate.

SMILES: O=C(O)c1cnccn1

SELFIES: [O][=C][Branch1][C][O][C][=C][N][=C][C][=N][Ring1][=Branch1]

InChI: InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)

Molecular Properties:
- Polar Surface Area: 63.1 Ų
- LogP: 0.1