{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | C663-0652 |
| Compound Name: | {[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 251.26 |
| Molecular Formula: | C9 H9 N5 O2 S |
| Smiles: | C(C(O)=O)Sc1nnc(c2ccncc2)n1N |
| Stereo: | ACHIRAL |
| logP: | -0.6052 |
| logD: | -3.8977 |
| logSw: | -1.074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.223 |
| InChI Key: | AEGVKCSDLKQOAG-UHFFFAOYSA-N |