3-[(3-methyl-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-methyl-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[(3-methyl-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4898 |
| Compound Name: | 3-[(3-methyl-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 231.3 |
| Molecular Formula: | C12 H17 N5 |
| Smiles: | Cc1ccn(Cc2nnc3CCCCCn23)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.3485 |
| logD: | 0.3463 |
| logSw: | -0.6293 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 40.705 |
| InChI Key: | ZHVXOJYWOUXZNK-UHFFFAOYSA-N |