4-phenyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole--hydrogen chloride (1/2)
Chemical Structure Depiction of
4-phenyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole--hydrogen chloride (1/2)
4-phenyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | S845-0004 |
| Compound Name: | 4-phenyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole--hydrogen chloride (1/2) |
| Molecular Weight: | 287.19 |
| Molecular Formula: | C12 H14 N4 |
| Salt: | 2HCl |
| Smiles: | C1CC(c2nncn2c2ccccc2)NC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3946 |
| logD: | -0.4233 |
| logSw: | -0.9479 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.453 |
| InChI Key: | IGICUVSKNAHUCG-NSHDSACASA-N |