TL;DR: 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one (CAS 108777-80-6) is a chemical compound with molecular formula C8H10N4O and molecular weight 178.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one
Also Known As: 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one, 1,5,6-Trimethyl-1H-pyrazolo[3,4-b]pyrazin-3(2H)-one, 1H-Pyrazolo[3,4-b]pyrazin-3-ol,1,5,6-trimethyl-(6CI), 1,5,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyrazin-3-one, 3H-Pyrazolo[3,4-b]pyrazin-3-one,1,2-dihydro-1,5,6-trimethyl-
| Molecular Formula | C8H10N4O |
| Molecular Weight | 178.08546 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.08546 Da |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
| SMILES | CC1=C(N=C2C(=N1)C(=O)NN2C)C |
| InChIKey | CKSLPUFDMRUJGX-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one. With a topological polar surface area (TPSA) of 58.1 Ų, 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one 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 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one is 108777-80-6.
The molecular formula of 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one is C8H10N4O.
The molecular weight of 1,5,6-trimethyl-2H-pyrazolo[3,4-b]pyrazin-3-one is 178.08546 g/mol.
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