Basic information
- CAS
648917-56-0- Standard SMILES
Cc1nnc(-c2ccccc2N)n1-c1ccccc1C(=O)O- InChIKey
UGJQWWUUCQIOCV-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.11167569
Names & identifiers
- Preferred name
- 2-(3-(2-Aminophenyl)-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid
- IUPAC
- 2-[3-(2-aminophenyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid
Names & synonyms
648917-56-02-(3-(2-Aminophenyl)-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid2-[3-(2-Aminophenyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acidSCHEMBL4398893DTXSID00619393UGJQWWUUCQIOCV-UHFFFAOYSA-N2-[3-(2-aminophenyl)-5-methyl-[1,2,4]triazol-4-yl]benzoic acid
Database identifiers
- CAS
648917-56-0- PubChem CID
- 21883868
- DTXSID
DTXSID00619393
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
2 records
Compound notes
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