Basic information
- CAS
1034735-31-3- Standard SMILES
Cc1ccc(N(C)C(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1- InChIKey
LRSPEISSHJUJOJ-UHFFFAOYSA-N- Molecular formula
- C17H15ClN4O
- Average molar mass
- 326.8 g/mol
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxamide
- IUPAC
- 1-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
- English name
- 1-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxamide
- Molecular formula
- C17H15ClN4O
- Molecular weight
- 326.78
Names & synonyms
1-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxamideCHEMBL6177176SCHEMBL31301487AP-501/433977871-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide1H-1,2,4-Triazole-3-carboxamide, 1-(4-chlorophenyl)-N-methyl-N-(4-methylphenyl)-
Database identifiers
- CAS
1034735-31-3- ChEMBL
CHEMBL6177176
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 508.7 · 508.7±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 0.73 · 0.73±0.50(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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