Basic information
- Standard SMILES
NC1N=NC(c2cccc(-c3ccccc3)c2)=N1- InChIKey
KJBHFDWVAHUGBY-UHFFFAOYSA-N- Molecular formula
- C14H12N4
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.1061964
Names & identifiers
- Preferred name
- 5-([1,1'-biphenyl]-3-yl)-3H-1,2,4-triazol-3-amine
- IUPAC
- 5-(3-phenylphenyl)-3H-1,2,4-triazol-3-amine
Names & synonyms
SCHEMBL15226871KJBHFDWVAHUGBY-UHFFFAOYSA-N5-([1,1'-biphenyl]-3-yl)-3H-1,2,4-triazol-3-amine
Database identifiers
- PubChem CID
- 86695072
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
1 records
Compound notes
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