Basic information
- Standard SMILES
Cc1nc(-c2ccc(F)cc2)n[nH]1- InChIKey
DPAPPCHNMSSCMW-UHFFFAOYSA-N- Molecular formula
- C9H8FN3
- Average molar mass
- 177.18 g/mol
Names & identifiers
- Preferred name
- 3-(4-Fluoro-phenyl)-5-methyl-[1,2,4]triazole
- IUPAC
- 3-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole
Names & synonyms
SCHEMBL1040640DPAPPCHNMSSCMW-UHFFFAOYSA-N3-(4-fluoro-phenyl)-5-methyl-[1,2,4]triazole
Database identifiers
- PubChem CID
- 43166756
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Related reactions
4 records
Compound notes
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