TL;DR: 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- (CAS 130187-51-8) is a chemical compound with molecular formula C17H12N4O and molecular weight 288.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Also Known As: 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl-, 6,8-Diphenyl-1,2,4-triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one, 6,8-Diphenyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, 6,8-diphenyl-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
| Molecular Formula | C17H12N4O |
| Molecular Weight | 288.1011 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1011 Da |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
| SMILES | C1=CC=C(C=C1)C2=CC(=NN3C2=NNC3=O)C4=CC=CC=C4 |
| InChIKey | LLQJYYHOWANTNX-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl-. With a topological polar surface area (TPSA) of 57.1 Ų, 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- is 130187-51-8.
The molecular formula of 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- is C17H12N4O.
The molecular weight of 1,2,4-Triazolo(4,3-b)pyridazin-3(2H)-one, 6,8-diphenyl- is 288.1011 g/mol.
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