Basic information
- Standard SMILES
Cc1ncnn1-c1ccc(C(=O)O)cc1- InChIKey
ATRRAGXPNKDBRA-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
Names & identifiers
- Preferred name
- 4-(5-Methyl-1H-1,2,4-triazol-1-yl)benzoic acid
- IUPAC
- 4-(5-methyl-1,2,4-triazol-1-yl)benzoic acid
Names & synonyms
4-(5-Methyl-1H-1,2,4-triazol-1-yl)benzoic acid1368819-46-84-(5-methyl-1,2,4-triazol-1-yl)benzoic acidMFCD21997471Benzoic acid, 4-(5-methyl-1H-1,2,4-triazol-1-yl)-SCHEMBL12490105ATRRAGXPNKDBRA-UHFFFAOYSA-NAKOS022189733DS-9254DB-123025CS-0152767C72480
Show more names
4-(5-Methyl-1H-1,2,4-triazol-1-yl)benzoicacid4-(5-Methyl-1H-124-triazol-1-yl)benzoic acidF4540964-(5-methyl-[1,2,4]triazol-1-yl)-benzoic acid
Database identifiers
- PubChem CID
- 68289587
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
4 records
Compound notes
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