Basic information
- CAS
720674-14-6- Standard SMILES
Nc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1- InChIKey
DUVFBWJSWMSUOB-UHFFFAOYSA-N- Molecular formula
- C15H11ClN4O
- Average molar mass
- 298.73 g/mol
Names & identifiers
- Preferred name
- 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
- IUPAC
- (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone
- English name
- 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
- Molecular formula
- C15H11ClN4O
- Molecular weight
- 298.72704
Names & synonyms
1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine720674-14-6(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanoneMFCD04147796AKOS001535973AE-848/42278523
Database identifiers
- CAS
720674-14-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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