2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8020-8118 |
| Compound Name: | 2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 314.77 |
| Molecular Formula: | C13 H18 N4 O3 |
| Salt: | HCl |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CCN)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 0.6595 |
| logD: | -1.628 |
| logSw: | -1.5678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.147 |
| InChI Key: | VGZIRWBWINHTEX-UHFFFAOYSA-N |