3-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4594 |
| Compound Name: | 3-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 276.3 |
| Molecular Formula: | C12 H16 N6 O2 |
| Smiles: | Cc1c(c(c2nnc3CCCCCn23)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8051 |
| logD: | 0.8039 |
| logSw: | -0.5993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.075 |
| InChI Key: | UPHKKAGDFDRIOL-UHFFFAOYSA-N |