2-(4-methoxyphenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(4-methoxyphenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0418 |
| Compound Name: | 2-(4-methoxyphenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 265.23 |
| Molecular Formula: | C10 H11 N5 O4 |
| Smiles: | CNc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2385 |
| logD: | 1.2385 |
| logSw: | -2.0364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.371 |
| InChI Key: | XLBCQKZAJXKICK-UHFFFAOYSA-N |