N-(3-methylbutyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-(3-methylbutyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-(3-methylbutyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0422 |
| Compound Name: | N-(3-methylbutyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 305.33 |
| Molecular Formula: | C14 H19 N5 O3 |
| Smiles: | CC(C)CCNc1c(nn(c2cccc(C)c2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4831 |
| logD: | 3.4831 |
| logSw: | -3.6481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.519 |
| InChI Key: | HNMAXERTJMFMHR-UHFFFAOYSA-N |