3-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
3-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C301-0219 |
| Compound Name: | 3-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol |
| Molecular Weight: | 293.28 |
| Molecular Formula: | C12 H15 N5 O4 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCCCO)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2285 |
| logD: | 1.2285 |
| logSw: | -1.9158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.174 |
| InChI Key: | JNJSVQSOKSAIMM-UHFFFAOYSA-N |