N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0121 |
| Compound Name: | N-(2-methylcyclohexyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C16 H21 N5 O3 |
| Smiles: | CC1CCCCC1Nc1c(nn(c2ccccc2C)[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7823 |
| logD: | 3.7823 |
| logSw: | -3.9047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.22 |
| InChI Key: | HPQIEZOQXDXJBR-UHFFFAOYSA-N |