5-methyl-3-phenyl-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-phenyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-3-phenyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0047 |
| Compound Name: | 5-methyl-3-phenyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C16 H16 N6 O2 |
| Smiles: | CC(C)N1C2=C(N(C)C(NC2=O)=O)n2c(c3ccccc3)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.1605 |
| logD: | 2.1565 |
| logSw: | -2.8851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | PYFMUVAPQJOCRK-UHFFFAOYSA-N |