Basic information
- Standard SMILES
CCc1nnc(-c2ccc(O)cc2)n1-c1ccccc1- InChIKey
BQKPUHPHJXDTTM-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
Names & identifiers
- Preferred name
- 4-(3-ethyl-4-phenyl-4H-1,2,4-triazol-5-yl)-phenol
- IUPAC
- 4-(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)phenol
Names & synonyms
SCHEMBL10624796BQKPUHPHJXDTTM-UHFFFAOYSA-N4-(3-ethyl-4-phenyl-4H-1,2,4-triazol-5-yl)-phenol
Database identifiers
- PubChem CID
- 135736166
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Related reactions
4 records
Compound notes
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