ethyl [5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetate
Chemical Structure Depiction of
ethyl [5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetate
ethyl [5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8018-2579 |
| Compound Name: | ethyl [5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]acetate |
| Molecular Weight: | 232.24 |
| Molecular Formula: | C11 H12 N4 O2 |
| Smiles: | CCOC(Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5303 |
| logD: | 0.4975 |
| logSw: | -0.9988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.601 |
| InChI Key: | RTCNTPZLDKLUQL-UHFFFAOYSA-N |