(piperidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Chemical Structure Depiction of
(piperidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
(piperidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Compound characteristics
| Compound ID: | 8017-9411 |
| Compound Name: | (piperidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile |
| Molecular Weight: | 257.34 |
| Molecular Formula: | C14 H19 N5 |
| Smiles: | C1CCc2nnc(C(/C#N)=C3/CCCCN3)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.0493 |
| logD: | 1.0493 |
| logSw: | -0.8223 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.155 |
| InChI Key: | AMBHGIWMAVNVCP-UHFFFAOYSA-N |