TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl- (CAS 135445-99-7) is a chemical compound with molecular formula C19H14N6O and molecular weight 342.1229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl-, 6,9-Dihydro-3,6-diphenyl-9-methyl-5H-1,2,4-triazolo(3,4-i)purin-5-one, 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one, 9-Methyl-3,6-diphenyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one
| Molecular Formula | C19H14N6O |
| Molecular Weight | 342.1229 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1229 Da |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
| SMILES | CN1C=NC2=C1C3=NN=C(N3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | DRHMGRRNLNWDMD-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl-. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl-. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl- is 135445-99-7.
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl- is C19H14N6O.
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl- is 342.1229 g/mol.
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