7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

C86H64F3N21O7S2 — CID 160763457

About 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (PubChem CID 160763457) has the molecular formula C86H64F3N21O7S2 and a molecular weight of 1624.73 g/mol. Its IUPAC name is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

Molecular Properties

• Compound Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• PubChem CID: 160763457
• Molecular Formula: C86H64F3N21O7S2
• Molecular Weight: 1624.73 g/mol
• Exact Mass: 1623.47
• IUPAC Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(F)(F)F)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccnc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccsc5)nn34)ccnc2c1.COc1ccc2c(SCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C23H16F3N5O2.C22H17N5OS.C21H16N6O2.C20H15N5O2S/c1-32-16-6-7-17-19(12-16)27-11-10-20(17)33-13-22-29-28-21-9-8-18(30-31(21)22)14-2-4-15(5-3-14)23(24,25)26;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-28-15-4-5-16-18(11-15)23-10-8-19(16)29-13-21-25-24-20-7-6-17(26-27(20)21)14-3-2-9-22-12-14;1-26-14-2-3-15-17(10-14)21-8-6-18(15)27-11-20-23-22-19-5-4-16(24-25(19)20)13-7-9-28-12-13/h2-12H,13H2,1H3;2-13H,14H2,1H3;2-12H,13H2,1H3;2-10,12H,11H2,1H3
• InChIKey: RYJJQGREEPVQBL-UHFFFAOYSA-N
• XLogP: 16.90
• TPSA: 301.38 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.73
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (CID 160763457) is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

What is the SMILES notation for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The canonical SMILES for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(F)(F)F)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccnc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccsc5)nn34)ccnc2c1.COc1ccc2c(SCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The InChIKey is RYJJQGREEPVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2.C22H17N5OS.C21H16N6O2.C20H15N5O2S/c1-32-16-6-7-17-19(12-16)27-11-10-20(17)33-13-22-29-28-21-9-8-18(30-31(21)22)14-2-4-15(5-3-14)23(24,25)26;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-28-15-4-5-16-18(11-15)23-10-8-19(16)29-13-21-25-24-20-7-6-17(26-27(20)21)14-3-2-9-22-12-14;1-26-14-2-3-15-17(10-14)21-8-6-18(15)27-11-20-23-22-19-5-4-16(24-25(19)20)13-7-9-28-12-13/h2-12H,13H2,1H3;2-13H,14H2,1H3;2-12H,13H2,1H3;2-10,12H,11H2,1H3.

What are the key properties of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline has a molecular weight of 1624.73 g/mol, XLogP of 16.90, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 160763457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).