3-(piperidin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-(piperidin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine--hydrogen chloride (1/2)
3-(piperidin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8020-0647 |
| Compound Name: | 3-(piperidin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine--hydrogen chloride (1/2) |
| Molecular Weight: | 293.24 |
| Molecular Formula: | C12 H20 N4 |
| Salt: | 2HCl |
| Smiles: | C1CCc2nnc(C3CCNCC3)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | -0.488 |
| logD: | -3.8186 |
| logSw: | -0.413 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.415 |
| InChI Key: | DVTCCRCRTAQHFQ-UHFFFAOYSA-N |