4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carbonyl)benzonitrile
4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | P937-1957 |
| Compound Name: | 4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C20 H18 N6 O |
| Smiles: | C1CN(CC1Cc1nnc(c2cccnc2)[nH]1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4044 |
| logD: | 1.2999 |
| logSw: | -1.1913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.264 |
| InChI Key: | MIULFQRQPWLMKP-HNNXBMFYSA-N |