[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
Chemical Structure Depiction of
[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile
Compound characteristics
| Compound ID: | 8020-6555 |
| Compound Name: | [5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetonitrile |
| Molecular Weight: | 214.22 |
| Molecular Formula: | C11 H10 N4 O |
| Smiles: | COc1cccc(c1)c1nc(CC#N)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6676 |
| logD: | 1.6594 |
| logSw: | -1.903 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.049 |
| InChI Key: | HYKHMFQZRUDMIZ-UHFFFAOYSA-N |