N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0403 |
| Compound Name: | N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C13 H17 N5 O4 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCCCOC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.149 |
| logD: | 2.149 |
| logSw: | -2.3855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.861 |
| InChI Key: | SMGNJZMSPLCCAV-UHFFFAOYSA-N |