2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(propan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(propan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(propan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1353 |
| Compound Name: | 2-(4-methoxyphenyl)-5-nitro-3-oxo-N-(propan-2-yl)-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 293.28 |
| Molecular Formula: | C12 H15 N5 O4 |
| Smiles: | CC(C)Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9876 |
| logD: | 1.9876 |
| logSw: | -2.4507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.195 |
| InChI Key: | DZXCAXFUSFTCKV-UHFFFAOYSA-N |