3-[2-(3-methyl-4-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-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4607 |
| Compound Name: | 3-[2-(3-methyl-4-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: | Cc1c(cn(CCc2nnc3CCCCCn23)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6558 |
| logD: | 0.6482 |
| logSw: | -0.8472 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.428 |
| InChI Key: | KUCOXIRQEHKBDW-UHFFFAOYSA-N |