2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidine
Chemical Structure Depiction of
2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidine
2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidine
Compound characteristics
| Compound ID: | C301-0221 |
| Compound Name: | 2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidine |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C15 H19 N5 O3 |
| Smiles: | CC1CCCCN1c1c(nn(c2cccc(C)c2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1796 |
| logD: | 3.1796 |
| logSw: | -3.1809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.042 |
| InChI Key: | CBIKAZQAJUVVBR-LBPRGKRZSA-N |