Basic information
- Standard SMILES
Nc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1- InChIKey
MSJMTNCXWPPVAT-UHFFFAOYSA-N- Molecular formula
- C15H11F4N5
- Average molar mass
- 337.27 g/mol
Names & identifiers
- Preferred name
- 5-(4-Amino-phenyl)-3-(2-fluoro-4-trifluoromethyl-phenyl)-3H-[1,2,3]triazol-4-ylamine
- IUPAC
- 5-(4-aminophenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-amine
Names & synonyms
5-(4-Amino-phenyl)-3-(2-fluoro-4-trifluoromethyl-phenyl)-3H-[1,2,3]triazol-4-ylamineSCHEMBL548238
Database identifiers
- PubChem CID
- 25215674
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
1 records
Compound notes
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