3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4606 |
| Compound Name: | 3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C14 H20 N6 O2 |
| Smiles: | CCC(c1nnc2CCCCCn12)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5719 |
| logD: | 1.566 |
| logSw: | -1.495 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.981 |
| InChI Key: | JSKVSCVVCJSQMO-NSHDSACASA-N |