Basic information
- Standard SMILES
Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccc(C(F)(F)F)cc1F- InChIKey
JWXNCOWZOAWVOO-UHFFFAOYSA-N- Molecular formula
- C15H9ClF4N4
- Average molar mass
- 356.7 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chloro-phenyl)-3-(2-fluoro-4-trifluoromethyl-phenyl)-3H-[1,2,3]triazol-4-ylamine
- IUPAC
- 5-(4-chlorophenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-amine
Names & synonyms
5-(4-Chloro-phenyl)-3-(2-fluoro-4-trifluoromethyl-phenyl)-3H-[1,2,3]triazol-4-ylamineSCHEMBL549092
Database identifiers
- PubChem CID
- 25215909
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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