2-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
2-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C301-0399 |
| Compound Name: | 2-{[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol |
| Molecular Weight: | 279.25 |
| Molecular Formula: | C11 H13 N5 O4 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCCO)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2441 |
| logD: | 1.2441 |
| logSw: | -1.9332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.174 |
| InChI Key: | PPNRMVYHFNODOV-UHFFFAOYSA-N |