4-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
4-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P937-0933 |
| Compound Name: | 4-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C18 H19 N5 O |
| Smiles: | C1CN(CC1Cc1nnc(C2CC2)[nH]1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.672 |
| logD: | 1.6656 |
| logSw: | -2.1332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.269 |
| InChI Key: | NCZFHCZYLVYUBD-ZDUSSCGKSA-N |