N-(3-methylbutyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-methylbutyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-methylbutyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0495 |
| Compound Name: | N-(3-methylbutyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 291.31 |
| Molecular Formula: | C13 H17 N5 O3 |
| Smiles: | CC(C)CCNc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8939 |
| logD: | 2.8939 |
| logSw: | -3.3447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.519 |
| InChI Key: | HLEUSDOWXKGPKO-UHFFFAOYSA-N |