Basic information
- CAS
1034735-68-6- Standard SMILES
CC(C)c1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1- InChIKey
MRVRTNUEUGXJOU-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4O
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.1090889
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-N-(4-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
- IUPAC
- 1-(4-chlorophenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
- English name
- 1-(4-chlorophenyl)-N-(4-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
- Molecular formula
- C18H17ClN4O
- Molecular weight
- 340.80678
Names & synonyms
1-(4-chlorophenyl)-N-(4-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamideAP-501/433978051-(4-chlorophenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
Database identifiers
- CAS
1034735-68-6- PubChem CID
- 24825112
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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