3-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4590 |
| Compound Name: | 3-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 292.29 |
| Molecular Formula: | C12 H16 N6 O3 |
| Smiles: | COc1c(cn(Cc2nnc3CCCCCn23)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.58 |
| logD: | 0.579 |
| logSw: | -0.7773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.174 |
| InChI Key: | INAHLKRMDWGPHW-UHFFFAOYSA-N |