4-{[3-(pyrrolidin-2-yl)-4H-1,2,4-triazol-4-yl]methyl}pyridine--hydrogen chloride (1/2)
Chemical Structure Depiction of
4-{[3-(pyrrolidin-2-yl)-4H-1,2,4-triazol-4-yl]methyl}pyridine--hydrogen chloride (1/2)
4-{[3-(pyrrolidin-2-yl)-4H-1,2,4-triazol-4-yl]methyl}pyridine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | S845-0009 |
| Compound Name: | 4-{[3-(pyrrolidin-2-yl)-4H-1,2,4-triazol-4-yl]methyl}pyridine--hydrogen chloride (1/2) |
| Molecular Weight: | 302.2 |
| Molecular Formula: | C12 H15 N5 |
| Salt: | 2HCl |
| Smiles: | C1CC(c2nncn2Cc2ccncc2)NC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.7261 |
| logD: | -1.8769 |
| logSw: | -0.7047 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.422 |
| InChI Key: | UPFORBLCUPCBBC-NSHDSACASA-N |