TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)- (CAS 135445-74-8) is a chemical compound with molecular formula C15H15N7O and molecular weight 309.13382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-6-propyl-3-pyridin-4-yl-[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-9-methyl-6-propyl-3-(4-pyridinyl)-, 9-Methyl-6-propyl-3-(4-pyridinyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-Dihydro-9-methyl-6-n-propyl-3-(4-pyridyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one, 9-methyl-6-propyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-f]purin-5-one, 6,9-dihydro-9-methyl-6-n-propyl-3-(4-pyridyl)-5H-1,2,4-triazolo[3,4-i]purin-5-one
| Molecular Formula | C15H15N7O |
| Molecular Weight | 309.13382 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.13382 Da |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)N(C=N2)C |
| InChIKey | IXRRMTOSOQHNTG-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)-. The TPSA of 81.7 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-9-methyl-6-propyl-3-(4-pyridinyl)-. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)- has 0 hydrogen bond donor(s) and 5 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-9-methyl-6-propyl-3-(4-pyridinyl)- is 135445-74-8.
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)- is C15H15N7O.
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)- is 309.13382 g/mol.
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