TL;DR: 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine (CAS 107042-54-6) is a chemical compound with molecular formula C17H13N5 and molecular weight 287.1171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
Also Known As: Pyrazolopyridazine 1a, pyrazolopyridazine deriv. 1, Pyrazolopyridazine deriv. 1a, 4,5-diphenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine, 4,5-diphenylpyrazolo[5,4-c]pyridazine-3-ylamine
| Molecular Formula | C17H13N5 |
| Molecular Weight | 287.1171 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.1171 Da |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
| SMILES | C1=CC=C(C=C1)C2=C(N=NC3=NNC(=C23)N)C4=CC=CC=C4 |
| InChIKey | NPHKXSDZIKFIRU-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine. Following Lipinski's Rule of Five, 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine 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 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine is 107042-54-6.
The molecular formula of 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine is C17H13N5.
The molecular weight of 4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine is 287.1171 g/mol.
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