3-{[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]methyl}benzonitrile--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-{[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]methyl}benzonitrile--hydrogen chloride (1/2)
3-{[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]methyl}benzonitrile--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8020-4994 |
| Compound Name: | 3-{[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]methyl}benzonitrile--hydrogen chloride (1/2) |
| Molecular Weight: | 300.19 |
| Molecular Formula: | C12 H13 N5 |
| Salt: | 2HCl |
| Smiles: | C(CN)c1cn(Cc2cccc(C#N)c2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.1184 |
| logD: | -3.4811 |
| logSw: | -0.9617 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.459 |
| InChI Key: | OKSOPBMLGFWJNH-UHFFFAOYSA-N |