About N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (PubChem CID 157247419) has the molecular formula C178H126F11N45O4S
and a molecular weight of 3200.32 g/mol. Its IUPAC name is N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.
Frequently Asked Questions
What is the IUPAC name of N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The IUPAC name of N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (CID 157247419) is N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.
What is the SMILES notation for N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The canonical SMILES for N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(F)c3)nn12.CCNS(=O)(=O)c1cccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)c1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1F.Cc1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1.Fc1cccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)c1.NC(=O)c1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1.NCc1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1.
What is the InChIKey of N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The InChIKey is AVYCJFDSRQFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O.C23H19FN6O2S.C23H15FN6.C22H15F2N5.C22H15FN6O.C22H17FN6.C22H16FN5.C21H13F2N5/c1-26-23(32)16-6-4-14(12-17(16)24)19-8-9-20-28-29-22(31(20)30-19)21(25)15-5-7-18-13(11-15)3-2-10-27-18;1-2-26-33(31,32)18-7-3-5-16(14-18)20-10-11-21-27-28-23(30(21)29-20)22(24)17-8-9-19-15(13-17)6-4-12-25-19;1-23(24,18-7-8-19-17(13-18)6-3-11-26-19)22-28-27-21-10-9-20(29-30(21)22)16-5-2-4-15(12-16)14-25;1-22(24,16-7-8-18-14(12-16)5-3-11-25-18)21-27-26-20-10-9-19(28-29(20)21)15-4-2-6-17(23)13-15;23-20(16-7-8-17-15(12-16)2-1-11-25-17)22-27-26-19-10-9-18(28-29(19)22)13-3-5-14(6-4-13)21(24)30;23-21(17-7-8-18-16(12-17)2-1-11-25-18)22-27-26-20-10-9-19(28-29(20)22)15-5-3-14(13-24)4-6-15;1-14-4-6-15(7-5-14)19-10-11-20-25-26-22(28(20)27-19)21(23)17-8-9-18-16(13-17)3-2-12-24-18;22-16-5-1-3-14(12-16)18-8-9-19-25-26-21(28(19)27-18)20(23)15-6-7-17-13(11-15)4-2-10-24-17/h2-12,21H,1H3,(H,26,32);3-14,22,26H,2H2,1H3;2-13H,1H3;2-13H,1H3;1-12,20H,(H2,24,30);1-12,21H,13,24H2;2-13,21H,1H3;1-12,20H.
What are the key properties of N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine has a molecular weight of 3200.32 g/mol, XLogP of 33.35, 30 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline;6-[fluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[fluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is sourced from PubChem (CID 157247419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).