N-cyclopentyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-cyclopentyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-cyclopentyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0218 |
| Compound Name: | N-cyclopentyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NC2CCCC2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0812 |
| logD: | 3.0812 |
| logSw: | -3.188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.497 |
| InChI Key: | AKWZNTVHGVAYDV-UHFFFAOYSA-N |