TL;DR: 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino- (CAS 125068-96-4) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
Also Known As: 8-Amino-4,4a-dihydro-5H(1)benzopyrano(4,3-c)pyridazin-3(2H)-one, 8-Amino-4a,5-dihydro-2H(1)benzopyrano(4,3-c)pyranazin-3(4H)-one, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino-, 8-amino-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one, 8-Amino-4a,5-dihydro-4H-[1]benzopyrano[4,3-c]pyridazin-3-ol
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.08513 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.08513 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| SMILES | C1C2COC3=C(C2=NNC1=O)C=CC(=C3)N |
| InChIKey | SEJQDQSBPLOODO-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino-. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino-. Following Lipinski's Rule of Five, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino- has 2 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 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino- is 125068-96-4.
The molecular formula of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino- is C11H11N3O2.
The molecular weight of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8-amino- is 217.08513 g/mol.
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