6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C66H44F16N16O4 — CID 158361922

About 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158361922) has the molecular formula C66H44F16N16O4 and a molecular weight of 1429.15 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 158361922
• Molecular Formula: C66H44F16N16O4
• Molecular Weight: 1429.15 g/mol
• Exact Mass: 1428.35
• IUPAC Name: 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.FC(F)(F)Cc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.FC(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
• InChI: InChI=1S/C19H13F3N4O.C18H12F2N4O.C15H11F5N4O.C14H8F6N4O/c20-19(21,22)12-18-24-23-17-11-10-16(25-26(17)18)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14;19-17(20)18-22-21-16-11-10-15(23-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-8-7-9(25-14(2,16)17)3-4-10(8)11-5-6-12-21-22-13(15(18,19)20)24(12)23-11;1-13(16,17)25-10-4-2-7(6-8(10)15)9-3-5-11-21-22-12(14(18,19)20)24(11)23-9/h1-11H,12H2;1-11,17H;3-7H,1-2H3;2-6H,1H3
• InChIKey: GTORGGSXVJKGBB-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 209.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.15
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 158361922) is 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.FC(F)(F)Cc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.FC(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.

What is the InChIKey of 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is GTORGGSXVJKGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O.C18H12F2N4O.C15H11F5N4O.C14H8F6N4O/c20-19(21,22)12-18-24-23-17-11-10-16(25-26(17)18)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14;19-17(20)18-22-21-16-11-10-15(23-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-8-7-9(25-14(2,16)17)3-4-10(8)11-5-6-12-21-22-13(15(18,19)20)24(12)23-11;1-13(16,17)25-10-4-2-7(6-8(10)15)9-3-5-11-21-22-12(14(18,19)20)24(11)23-9/h1-11H,12H2;1-11,17H;3-7H,1-2H3;2-6H,1H3.

What are the key properties of 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1429.15 g/mol, XLogP of 17.26, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158361922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).