3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4604 |
| Compound Name: | 3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C13 H18 N6 O2 |
| Smiles: | Cc1cc(nn1CCc1nnc2CCCCCn12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5045 |
| logD: | 0.4917 |
| logSw: | -1.0544 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.263 |
| InChI Key: | MDFJANIOHLYVOT-UHFFFAOYSA-N |