TL;DR: 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)- (CAS 141300-28-9) is a chemical compound with molecular formula C13H10N6O and molecular weight 266.0916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(4-methylphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Also Known As: 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)-, 1,8-Dihydro-8-(4-methylphenyl)-4H-pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 8-(4-Methylphenyl)-1,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one, 10-(4-methylphenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one, BRN 4878225
| Molecular Formula | C13H10N6O |
| Molecular Weight | 266.0916 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0916 Da |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
| SMILES | CC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)C=NN4 |
| InChIKey | DHXQGGSSFZWLDA-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)-. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)-. Following Lipinski's Rule of Five, 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)- has 1 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 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)- is 141300-28-9.
The molecular formula of 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)- is C13H10N6O.
The molecular weight of 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methylphenyl)- is 266.0916 g/mol.
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