About 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (PubChem CID 158582782) has the molecular formula C172H130BrClF5N45O6S2
and a molecular weight of 3197.72 g/mol. Its IUPAC name is 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.
Frequently Asked Questions
What is the IUPAC name of 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The IUPAC name of 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (CID 158582782) is 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.
What is the SMILES notation for 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The canonical SMILES for 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is CN(C)S(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.Cc1ccc2nnc(Cc3c(F)cc4ncc(Br)cc4c3F)n2n1.FC(c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.Fc1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.NCc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=C(NC1CCCC1)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)n1cccc1.
What is the InChIKey of 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
The InChIKey is HTLODLSWZZGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O.C25H18N6O2S.C23H17FN6O.C23H20N6O2S.C22H18N6.C21H14FN5.C16H10BrF2N5.C15H9ClFN5/c34-27(29-22-8-1-2-9-22)21-6-3-5-20(17-21)24-12-13-25-30-31-26(33(25)32-24)16-18-10-11-23-19(15-18)7-4-14-28-23;32-34(33,30-14-1-2-15-30)21-8-6-19(7-9-21)23-11-12-24-27-28-25(31(24)29-23)17-18-5-10-22-20(16-18)4-3-13-26-22;1-25-23(31)17-6-5-16(13-18(17)24)20-8-9-21-27-28-22(30(21)29-20)12-14-4-7-19-15(11-14)3-2-10-26-19;1-28(2)32(30,31)19-8-6-17(7-9-19)21-11-12-22-25-26-23(29(22)27-21)15-16-5-10-20-18(14-16)4-3-13-24-20;23-14-15-3-6-17(7-4-15)20-9-10-21-25-26-22(28(21)27-20)13-16-5-8-19-18(12-16)2-1-11-24-19;22-17-5-1-3-16(13-17)19-8-9-20-24-25-21(27(20)26-19)12-14-6-7-18-15(11-14)4-2-10-23-18;1-8-2-3-14-21-22-15(24(14)23-8)5-10-12(18)6-13-11(16(10)19)4-9(17)7-20-13;16-12-5-6-13-19-20-15(22(13)21-12)14(17)10-3-4-11-9(8-10)2-1-7-18-11/h3-7,10-15,17,22H,1-2,8-9,16H2,(H,29,34);1-16H,17H2;2-11,13H,12H2,1H3,(H,25,31);3-14H,15H2,1-2H3;1-12H,13-14,23H2;1-11,13H,12H2;2-4,6-7H,5H2,1H3;1-8,14H.
What are the key properties of 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?
3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine has a molecular weight of 3197.72 g/mol, XLogP of 29.64, 30 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-fluoromethyl]quinoline;N-cyclopentyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N,N-dimethyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-pyrrol-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is sourced from PubChem (CID 158582782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).