Basic information
- Standard SMILES
CNC(=O)c1nc(-c2cccc(C(=O)O)c2)cnc1N- InChIKey
LHAMPRXPSBRJMV-UHFFFAOYSA-N- Molecular formula
- C13H12N4O3
- Average molar mass
- 272.26 g/mol
Names & identifiers
- Preferred name
- 3-{5-Amino-6-[(methylamino)carbonyl]pyrazin-2-yl}benzoic acid
- IUPAC
- 3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]benzoic acid
Names & synonyms
SCHEMBL3459905LHAMPRXPSBRJMV-UHFFFAOYSA-NDB-4244133-[5-Amino-6-[(methylamino)carbonyl]-2-pyrazinyl]benzoic acid3-{5-amino-6-[(methylamino)carbonyl]pyrazin-2-yl}benzoic acid3-{5-amino-6-[(methylamino)carbonyl]pyrazine-2-yl}benzoic acid625460-36-8
Database identifiers
- PubChem CID
- 58710571
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Related reactions
9 records
Compound notes
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