1-{5-methyl-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-methyl-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-methyl-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-8727 |
| Compound Name: | 1-{5-methyl-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 258.24 |
| Molecular Formula: | C11 H10 N6 O2 |
| Smiles: | CC(c1c(C)n(c2c(non2)n2cccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7516 |
| logD: | 1.7516 |
| logSw: | -1.4533 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 80.378 |
| InChI Key: | WEOHNQSKAMALMO-UHFFFAOYSA-N |