(pyrrolidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Chemical Structure Depiction of
(pyrrolidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
(pyrrolidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Compound characteristics
| Compound ID: | 8018-0211 |
| Compound Name: | (pyrrolidin-2-ylidene)(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile |
| Molecular Weight: | 243.31 |
| Molecular Formula: | C13 H17 N5 |
| Smiles: | C1CCc2nnc(C(\C#N)=C3/CCCN3)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.7604 |
| logD: | 0.7603 |
| logSw: | -0.4601 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.521 |
| InChI Key: | PLALTEPOKYWEEH-UHFFFAOYSA-N |