1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
Compound ID: | D116-0181 |
Compound Name: | 1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one |
Molecular Weight: | 299.35 |
Molecular Formula: | C14 H13 N5 O S |
Smiles: | CC(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
Stereo: | ACHIRAL |
logP: | 1.4705 |
logD: | 1.3211 |
logSw: | -1.6103 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.503 |
InChI Key: | MSSONLYTKLKLNM-UHFFFAOYSA-N |