6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline

C171H108F12N47S+ — CID 160632497

IUPAC6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
SMILESC#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccn1.FC(F)(C1=[N+]2N=C(c3cccnc3)C=CC2N=N1)c1ccc2ncccc2c1.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccs3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cnc4ccccc4c3)nn12.c1cnc2ccc(Cc3nnc4ccc(-c5cnc6ccccc6c5)nn34)cc2c1
InChIInChI=1S/C24H14F2N6.C24H16N6.C22H12F2N6.C21H14F2N6.C21H16N6.C20H13F2N6.C20H12F2N6.C19H11F2N5S/c25-24(26,18-7-8-20-16(13-18)5-3-11-27-20)23-30-29-22-10-9-21(31-32(22)23)17-12-15-4-1-2-6-19(15)28-14-17;1-2-6-20-18(4-1)14-19(15-26-20)22-9-10-23-27-28-24(30(23)29-22)13-16-7-8-21-17(12-16)5-3-11-25-21;1-2-17-13-15(9-11-25-17)19-7-8-20-27-28-21(30(20)29-19)22(23,24)16-5-6-18-14(12-16)4-3-10-26-18;1-13-11-15(8-10-24-13)18-6-7-19-26-27-20(29(19)28-18)21(22,23)16-4-5-17-14(12-16)3-2-9-25-17;1-14-11-17(8-10-22-14)19-6-7-20-24-25-21(27(20)26-19)13-15-4-5-18-16(12-15)3-2-9-23-18;21-20(22,15-5-6-16-13(11-15)3-2-10-24-16)19-26-25-18-8-7-17(27-28(18)19)14-4-1-9-23-12-14;21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13;20-19(21,13-5-6-14-12(11-13)3-1-9-22-14)18-24-23-17-8-7-15(25-26(17)18)16-4-2-10-27-16/h1-14H;1-12,14-15H,13H2;1,3-13H;2-12H,1H3;2-12H,13H2,1H3;1-12,18H;1-12H;1-11H/q;;;;;+1;;
InChIKeyJIXZJPQAQWQDSR-UHFFFAOYSA-N
MW3081.12 g/mol
LogP33.49
Rot. Bonds24

About 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline

6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline (PubChem CID 160632497) has the molecular formula C171H108F12N47S+ and a molecular weight of 3081.12 g/mol. Its IUPAC name is 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline.

Molecular Properties

Compound Name6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
PubChem CID160632497
Molecular FormulaC171H108F12N47S+
Molecular Weight3081.12 g/mol
Exact Mass3078.94
IUPAC Name6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
SMILESC#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccn1.FC(F)(C1=[N+]2N=C(c3cccnc3)C=CC2N=N1)c1ccc2ncccc2c1.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccs3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cnc4ccccc4c3)nn12.c1cnc2ccc(Cc3nnc4ccc(-c5cnc6ccccc6c5)nn34)cc2c1
InChIInChI=1S/C24H14F2N6.C24H16N6.C22H12F2N6.C21H14F2N6.C21H16N6.C20H13F2N6.C20H12F2N6.C19H11F2N5S/c25-24(26,18-7-8-20-16(13-18)5-3-11-27-20)23-30-29-22-10-9-21(31-32(22)23)17-12-15-4-1-2-6-19(15)28-14-17;1-2-6-20-18(4-1)14-19(15-26-20)22-9-10-23-27-28-24(30(23)29-22)13-16-7-8-21-17(12-16)5-3-11-25-21;1-2-17-13-15(9-11-25-17)19-7-8-20-27-28-21(30(20)29-19)22(23,24)16-5-6-18-14(12-16)4-3-10-26-18;1-13-11-15(8-10-24-13)18-6-7-19-26-27-20(29(19)28-18)21(22,23)16-4-5-17-14(12-16)3-2-9-25-17;1-14-11-17(8-10-22-14)19-6-7-20-24-25-21(27(20)26-19)13-15-4-5-18-16(12-15)3-2-9-23-18;21-20(22,15-5-6-16-13(11-15)3-2-10-24-16)19-26-25-18-8-7-17(27-28(18)19)14-4-1-9-23-12-14;21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13;20-19(21,13-5-6-14-12(11-13)3-1-9-22-14)18-24-23-17-8-7-15(25-26(17)18)16-4-2-10-27-16/h1-14H;1-12,14-15H,13H2;1,3-13H;2-12H,1H3;2-12H,13H2,1H3;1-12,18H;1-12H;1-11H/q;;;;;+1;;
InChIKeyJIXZJPQAQWQDSR-UHFFFAOYSA-N
XLogP33.49
TPSA535.00 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds24
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003081.12
LogP ≤ 533.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline?
The IUPAC name of 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline (CID 160632497) is 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline.
What is the SMILES notation for 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline?
The canonical SMILES for 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline is C#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccn1.FC(F)(C1=[N+]2N=C(c3cccnc3)C=CC2N=N1)c1ccc2ncccc2c1.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccs3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cnc4ccccc4c3)nn12.c1cnc2ccc(Cc3nnc4ccc(-c5cnc6ccccc6c5)nn34)cc2c1.
What is the InChIKey of 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline?
The InChIKey is JIXZJPQAQWQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N6.C24H16N6.C22H12F2N6.C21H14F2N6.C21H16N6.C20H13F2N6.C20H12F2N6.C19H11F2N5S/c25-24(26,18-7-8-20-16(13-18)5-3-11-27-20)23-30-29-22-10-9-21(31-32(22)23)17-12-15-4-1-2-6-19(15)28-14-17;1-2-6-20-18(4-1)14-19(15-26-20)22-9-10-23-27-28-24(30(23)29-22)13-16-7-8-21-17(12-16)5-3-11-25-21;1-2-17-13-15(9-11-25-17)19-7-8-20-27-28-21(30(20)29-19)22(23,24)16-5-6-18-14(12-16)4-3-10-26-18;1-13-11-15(8-10-24-13)18-6-7-19-26-27-20(29(19)28-18)21(22,23)16-4-5-17-14(12-16)3-2-9-25-17;1-14-11-17(8-10-22-14)19-6-7-20-24-25-21(27(20)26-19)13-15-4-5-18-16(12-15)3-2-9-23-18;21-20(22,15-5-6-16-13(11-15)3-2-10-24-16)19-26-25-18-8-7-17(27-28(18)19)14-4-1-9-23-12-14;21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13;20-19(21,13-5-6-14-12(11-13)3-1-9-22-14)18-24-23-17-8-7-15(25-26(17)18)16-4-2-10-27-16/h1-14H;1-12,14-15H,13H2;1,3-13H;2-12H,1H3;2-12H,13H2,1H3;1-12,18H;1-12H;1-11H/q;;;;;+1;;.
What are the key properties of 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline?
6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline has a molecular weight of 3081.12 g/mol, XLogP of 33.49, 24 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline is sourced from PubChem (CID 160632497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).