TL;DR: 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one (CAS 136860-16-7) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-6-(dimethylamino)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 9F-904, 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one, 3-amino-6-(dimethylamino)-1-phenyl-1H,4H-pyrazolo[3,4-d][1,3]oxazin-4-one, 7-amino-3-dimethylamino-9-phenyl-4-oxa-2,8,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one
| Molecular Formula | C13H13N5O2 |
| Molecular Weight | 271.10693 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.10693 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | CN(C)C1=NC2=C(C(=NN2C3=CC=CC=C3)N)C(=O)O1 |
| InChIKey | ZMTSDAKZZLRRPA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one. Following Lipinski's Rule of Five, 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one 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 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 136860-16-7.
The molecular formula of 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is C13H13N5O2.
The molecular weight of 3-amino-6-(dimethylamino)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 271.10693 g/mol.
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