1-{1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-8693 |
| Compound Name: | 1-{1-[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C13 H17 N7 O2 |
| Smiles: | CC(c1c(C)n(c2nc(nc(n2)OC)N2CCCC2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.03 |
| logD: | 2.03 |
| logSw: | -1.8856 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.791 |
| InChI Key: | CPQSEPWTDBIABD-UHFFFAOYSA-N |