About 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 159376429) has the molecular formula C178H117F17N46O3S3
and a molecular weight of 3367.38 g/mol. Its IUPAC name is 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.
Frequently Asked Questions
What is the IUPAC name of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (CID 159376429) is 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.
What is the SMILES notation for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is CC(F)(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.CC(F)(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(F)c3)nn12.CNC(=O)c1ccc(-c2ccc3nnc(C(C)(F)c4ccc5ncccc5c4)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(C)(F)c4ccc5ncsc5c4)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(F)c4cc5cccnc5cc4C)n3n2)cc1F.Cc1cc2ncccc2cc1C(F)c1nnc2ccc(-c3cccc(C#N)c3)nn12.FC(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12.N#Cc1cccc(-c2ccc3nnc(C(F)c4c(F)cc5ncccc5c4F)n3n2)c1.
What is the InChIKey of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is LKJHLCNGDSSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18F2N6O.C23H15FN6.C22H13F4N5.C22H11F3N6.C22H16F2N6OS.C21H13FN6S.C20H13F2N5S/c1-24(26,16-6-8-19-14(12-16)4-3-11-28-19)23-30-29-21-10-9-20(31-32(21)23)15-5-7-17(18(25)13-15)22(33)27-2;1-13-10-20-14(4-3-9-28-20)11-17(13)22(26)23-30-29-21-8-7-19(31-32(21)23)15-5-6-16(18(25)12-15)24(33)27-2;1-14-10-20-17(6-3-9-26-20)12-18(14)22(24)23-28-27-21-8-7-19(29-30(21)23)16-5-2-4-15(11-16)13-25;23-20(15-6-7-17-13(11-15)4-2-10-27-17)21-29-28-19-9-8-18(30-31(19)21)14-3-1-5-16(12-14)22(24,25)26;23-15-10-17-14(5-2-8-27-17)20(24)19(15)21(25)22-29-28-18-7-6-16(30-31(18)22)13-4-1-3-12(9-13)11-26;1-22(24,13-4-6-17-18(10-13)32-11-26-17)21-28-27-19-8-7-16(29-30(19)21)12-3-5-14(15(23)9-12)20(31)25-2;1-21(22,15-5-6-17-18(10-15)29-12-24-17)20-26-25-19-8-7-16(27-28(19)20)14-4-2-3-13(9-14)11-23;1-20(22,13-5-6-16-17(10-13)28-11-23-16)19-25-24-18-8-7-15(26-27(18)19)12-3-2-4-14(21)9-12/h3-13H,1-2H3,(H,27,33);3-12,22H,1-2H3,(H,27,33);2-12,22H,1H3;1-12,20H;1-10,21H;3-11H,1-2H3,(H,25,31);2-10,12H,1H3;2-11H,1H3.
What are the key properties of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 3367.38 g/mol, XLogP of 36.23, 27 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 159376429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).