Basic information
- Standard SMILES
NCc1cc(-c2nn(-c3ccc(Cl)cc3)c(=O)[nH]2)c(Cl)cc1F- InChIKey
NMFPLPAHPXHDFY-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2FN4O
- Average molar mass
- 353.2 g/mol
Names & identifiers
- Preferred name
- 5-(5-(aminomethyl)-2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-2H-1,2,4-triazol-3 (4H)-one
- IUPAC
- 5-[5-(aminomethyl)-2-chloro-4-fluorophenyl]-2-(4-chlorophenyl)-4H-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL15540348NMFPLPAHPXHDFY-UHFFFAOYSA-N5-(5-(aminomethyl)-2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-2H-1,2,4-triazol-3 (4H)-one5-(5-(aminomethyl)-2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-2H-1,2,4-triazol-3(4H)-one
Database identifiers
- PubChem CID
- 136644848
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 484
Related reactions
6 records
Compound notes
Loading…