N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine

C181H136FN47O6S2 — CID 161168911

IUPACN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.CNc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCOCC1.[C-]#[N+]Cc1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.[C-]#[N+]c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.[C-]#[N+]c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C25H22N6O3S.C23H20N6O2S.C23H18N6O.C23H16N6.C22H14N6.C22H18N6.C22H14N6.C21H14FN5/c32-35(33,30-12-14-34-15-13-30)21-6-4-19(5-7-21)23-9-10-24-27-28-25(31(24)29-23)17-18-3-8-22-20(16-18)2-1-11-26-22;1-28(2)32(30,31)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;1-24-23(30)17-7-5-16(6-8-17)20-10-11-21-26-27-22(29(21)28-20)14-15-4-9-19-18(13-15)3-2-12-25-19;1-24-15-17-4-2-5-19(13-17)21-9-10-22-26-27-23(29(22)28-21)14-16-7-8-20-18(12-16)6-3-11-25-20;1-23-18-6-2-4-17(14-18)20-9-10-21-25-26-22(28(21)27-20)13-15-7-8-19-16(12-15)5-3-11-24-19;2*1-23-18-7-5-16(6-8-18)20-10-11-21-25-26-22(28(21)27-20)14-15-4-9-19-17(13-15)3-2-12-24-19;22-17-6-4-15(5-7-17)19-9-10-20-24-25-21(27(20)26-19)13-14-3-8-18-16(12-14)2-1-11-23-18/h1-11,16H,12-15,17H2;3-13,15H,14H2,1-2H3;2-13H,14H2,1H3,(H,24,30);2-13H,14-15H2;2-12,14H,13H2;2-13,23H,14H2,1H3;2-13H,14H2;1-12H,13H2
InChIKeyUQXODWLQAMUDNX-UHFFFAOYSA-N
MW3148.53 g/mol
LogP30.77
Rot. Bonds31

About N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine

N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine (PubChem CID 161168911) has the molecular formula C181H136FN47O6S2 and a molecular weight of 3148.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine
PubChem CID161168911
Molecular FormulaC181H136FN47O6S2
Molecular Weight3148.53 g/mol
Exact Mass3146.12
IUPAC NameN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.CNc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCOCC1.[C-]#[N+]Cc1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.[C-]#[N+]c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.[C-]#[N+]c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C25H22N6O3S.C23H20N6O2S.C23H18N6O.C23H16N6.C22H14N6.C22H18N6.C22H14N6.C21H14FN5/c32-35(33,30-12-14-34-15-13-30)21-6-4-19(5-7-21)23-9-10-24-27-28-25(31(24)29-23)17-18-3-8-22-20(16-18)2-1-11-26-22;1-28(2)32(30,31)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;1-24-23(30)17-7-5-16(6-8-17)20-10-11-21-26-27-22(29(21)28-20)14-15-4-9-19-18(13-15)3-2-12-25-19;1-24-15-17-4-2-5-19(13-17)21-9-10-22-26-27-23(29(22)28-21)14-16-7-8-20-18(12-16)6-3-11-25-20;1-23-18-6-2-4-17(14-18)20-9-10-21-25-26-22(28(21)27-20)13-15-7-8-19-16(12-15)5-3-11-24-19;2*1-23-18-7-5-16(6-8-18)20-10-11-21-25-26-22(28(21)27-20)14-15-4-9-19-17(13-15)3-2-12-24-19;22-17-6-4-15(5-7-17)19-9-10-20-24-25-21(27(20)26-19)13-14-3-8-18-16(12-14)2-1-11-23-18/h1-11,16H,12-15,17H2;3-13,15H,14H2,1-2H3;2-13H,14H2,1H3,(H,24,30);2-13H,14-15H2;2-12,14H,13H2;2-13,23H,14H2,1H3;2-13H,14H2;1-12H,13H2
InChIKeyUQXODWLQAMUDNX-UHFFFAOYSA-N
XLogP30.77
TPSA585.96 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003148.53
LogP ≤ 530.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine?
The IUPAC name of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine (CID 161168911) is N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine is CN(C)S(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.CNc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCOCC1.[C-]#[N+]Cc1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.[C-]#[N+]c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.[C-]#[N+]c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine?
The InChIKey is UQXODWLQAMUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S.C23H20N6O2S.C23H18N6O.C23H16N6.C22H14N6.C22H18N6.C22H14N6.C21H14FN5/c32-35(33,30-12-14-34-15-13-30)21-6-4-19(5-7-21)23-9-10-24-27-28-25(31(24)29-23)17-18-3-8-22-20(16-18)2-1-11-26-22;1-28(2)32(30,31)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;1-24-23(30)17-7-5-16(6-8-17)20-10-11-21-26-27-22(29(21)28-20)14-15-4-9-19-18(13-15)3-2-12-25-19;1-24-15-17-4-2-5-19(13-17)21-9-10-22-26-27-23(29(22)28-21)14-16-7-8-20-18(12-16)6-3-11-25-20;1-23-18-6-2-4-17(14-18)20-9-10-21-25-26-22(28(21)27-20)13-15-7-8-19-16(12-15)5-3-11-24-19;2*1-23-18-7-5-16(6-8-18)20-10-11-21-25-26-22(28(21)27-20)14-15-4-9-19-17(13-15)3-2-12-24-19;22-17-6-4-15(5-7-17)19-9-10-20-24-25-21(27(20)26-19)13-14-3-8-18-16(12-14)2-1-11-23-18/h1-11,16H,12-15,17H2;3-13,15H,14H2,1-2H3;2-13H,14H2,1H3,(H,24,30);2-13H,14-15H2;2-12,14H,13H2;2-13,23H,14H2,1H3;2-13H,14H2;1-12H,13H2.
What are the key properties of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine?
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine has a molecular weight of 3148.53 g/mol, XLogP of 30.77, 31 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 161168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).