TL;DR: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl- (CAS 115445-70-0) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl-, 6-(2-Aminophenyl)-1-methylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4-one, 1-Methyl-6-(2-aminophenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 6-(2-Aminophenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
| Molecular Formula | C12H10N4O2 |
| Molecular Weight | 242.08037 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.08037 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3N |
| InChIKey | FABSUUOLNUKNBK-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl-. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl- has 1 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 Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl- is 115445-70-0.
The molecular formula of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl- is C12H10N4O2.
The molecular weight of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl- is 242.08037 g/mol.
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