2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
Chemical Structure Depiction of
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8019-5491 |
| Compound Name: | 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C11 H13 N7 O S |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(N)n[nH]2)=O)[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 0.0425 |
| logD: | -0.2494 |
| logSw: | -1.6054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 104.268 |
| InChI Key: | NNHWWRXYZSDBRX-UHFFFAOYSA-N |