(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Chemical Structure Depiction of
(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Compound characteristics
| Compound ID: | 8013-6397 |
| Compound Name: | (6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile |
| Molecular Weight: | 176.22 |
| Molecular Formula: | C9 H12 N4 |
| Smiles: | C1CCc2nnc(CC#N)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.1438 |
| logD: | 0.1438 |
| logSw: | -0.0305 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 44.002 |
| InChI Key: | PSFLXSYUOJMEQK-UHFFFAOYSA-N |