Basic information
- Standard SMILES
Cc1nnc(C2CC2)n1-c1cc(Cl)ccc1C(N)c1ccccc1Cl- InChIKey
GZFBAXBJQBRPEQ-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N4
- Average molar mass
- 373.3 g/mol
Names & identifiers
- Preferred name
- 4-[alpha-amino-4-chloro-alpha(o-chlorophenyl)-o-tolyl]-3-cyclopropyl-5-methyl-4H-1,2,4-triazole
- IUPAC
- [4-chloro-2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanamine
Names & synonyms
GZFBAXBJQBRPEQ-UHFFFAOYSA-N4-[alpha-amino-4-chloro-alpha(o-chlorophenyl)-o-tolyl] -3-cyclopropyl-5-methyl-4H-1,2,4 -triazole4-[alpha-amino-4-chloro-alpha-(o-chlorophenyl)-o-tolyl]-3-cyclopropyl-5-methyl-4H-1,2,4-triazole
Database identifiers
- PubChem CID
- 86733716
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Related reactions
3 records
Compound notes
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