3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C108H84F31N31O8 — CID 162029460

About 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 162029460) has the molecular formula C108H84F31N31O8 and a molecular weight of 2533.01 g/mol. Its IUPAC name is 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 162029460
• Molecular Formula: C108H84F31N31O8
• Molecular Weight: 2533.01 g/mol
• Exact Mass: 2531.66
• IUPAC Name: 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)C(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)Cc1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(C(F)(F)F)cc3)nn12.FC(F)(F)COc1ccc(-c2ccc3nnc(C4CC4)n3n2)cn1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCO4)n3n2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCOC4)n3n2)cc1
• InChI: InChI=1S/2C17H15F3N4O2.C15H10F7N5O.C15H12F5N5O.C15H11F5N4O.C15H12F3N5O.C14H9F5N4/c18-17(19,20)26-13-3-1-12(2-4-13)14-5-6-15-21-22-16(24(15)23-14)9-11-7-8-25-10-11;18-17(19,20)26-12-5-3-11(4-6-12)14-7-8-15-21-22-16(24(15)23-14)10-13-2-1-9-25-13;1-13(16,17)15(21,22)12-25-24-10-4-3-9(26-27(10)12)8-2-5-11(23-6-8)28-7-14(18,19)20;1-14(16,17)6-12-23-22-11-4-3-10(24-25(11)12)9-2-5-13(21-7-9)26-8-15(18,19)20;1-14(16,17)8-13-22-21-12-7-6-11(23-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;16-15(17,18)8-24-13-6-3-10(7-19-13)11-4-5-12-20-21-14(9-1-2-9)23(12)22-11;1-13(15,16)12-21-20-11-7-6-10(22-23(11)12)8-2-4-9(5-3-8)14(17,18)19/h1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2-6H,7H2,1H3;2-5,7H,6,8H2,1H3;2-7H,8H2,1H3;3-7,9H,1-2,8H2;2-7H,1H3
• InChIKey: YVVCOSUQJRNPQZ-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 414.07 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.01
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 162029460) is 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)C(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)Cc1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(C(F)(F)F)cc3)nn12.FC(F)(F)COc1ccc(-c2ccc3nnc(C4CC4)n3n2)cn1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCO4)n3n2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCOC4)n3n2)cc1.

What is the InChIKey of 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is YVVCOSUQJRNPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15F3N4O2.C15H10F7N5O.C15H12F5N5O.C15H11F5N4O.C15H12F3N5O.C14H9F5N4/c18-17(19,20)26-13-3-1-12(2-4-13)14-5-6-15-21-22-16(24(15)23-14)9-11-7-8-25-10-11;18-17(19,20)26-12-5-3-11(4-6-12)14-7-8-15-21-22-16(24(15)23-14)10-13-2-1-9-25-13;1-13(16,17)15(21,22)12-25-24-10-4-3-9(26-27(10)12)8-2-5-11(23-6-8)28-7-14(18,19)20;1-14(16,17)6-12-23-22-11-4-3-10(24-25(11)12)9-2-5-13(21-7-9)26-8-15(18,19)20;1-14(16,17)8-13-22-21-12-7-6-11(23-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;16-15(17,18)8-24-13-6-3-10(7-19-13)11-4-5-12-20-21-14(9-1-2-9)23(12)22-11;1-13(15,16)12-21-20-11-7-6-10(22-23(11)12)8-2-4-9(5-3-8)14(17,18)19/h1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2-6H,7H2,1H3;2-5,7H,6,8H2,1H3;2-7H,8H2,1H3;3-7,9H,1-2,8H2;2-7H,1H3.

What are the key properties of 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2533.01 g/mol, XLogP of 24.69, 28 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 162029460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).