5-methyl-3-(4-methylphenyl)-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5-methyl-3-(4-methylphenyl)-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-3-(4-methylphenyl)-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-0057 |
Compound Name: | 5-methyl-3-(4-methylphenyl)-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
Molecular Weight: | 338.37 |
Molecular Formula: | C17 H18 N6 O2 |
Smiles: | CC(C)N1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(C)cc3)nnc12 |
Stereo: | ACHIRAL |
logP: | 2.6889 |
logD: | 2.6849 |
logSw: | -3.1695 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.4 |
InChI Key: | ZVLOHVLUOLWDGY-UHFFFAOYSA-N |