[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
Chemical Structure Depiction of
[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
Compound characteristics
| Compound ID: | 8020-6557 |
| Compound Name: | [5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CC#N)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.15 |
| logD: | 1.1421 |
| logSw: | -1.9158 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.483 |
| InChI Key: | JCDKPKGRVMMALF-UHFFFAOYSA-N |