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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C99H78F21N25O6 — CID 158716423

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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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 158716423) has the molecular formula C99H78F21N25O6 and a molecular weight of 2112.84 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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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: 158716423
• Molecular Formula: C99H78F21N25O6
• Molecular Weight: 2112.84 g/mol
• Exact Mass: 2111.62
• 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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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(C)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.CC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cn1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(C)C)n2n1.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.FC(F)(F)Cc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
• InChI: InChI=1S/C20H18N4O.C19H13F3N4O.C17H18F2N4O.C15H11F5N4O.C14H8F6N4O.C14H10F5N5O/c1-14(2)20-22-21-19-13-12-18(23-24(19)20)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16;20-19(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;1-10(2)16-21-20-15-8-7-14(22-23(15)16)13-6-5-12(9-11(13)3)24-17(4,18)19;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;1-13(15,16)7-25-11-5-2-8(6-20-11)9-3-4-10-21-22-12(14(17,18)19)24(10)23-9/h3-14H,1-2H3;1-11H,12H2;5-10H,1-4H3;3-7H,1-2H3;2-6H,1H3;2-6H,7H2,1H3
• InChIKey: IJJCZQAMGOVMLU-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 326.75 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.84
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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 158716423) 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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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(C)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.CC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cn1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(C)C)n2n1.Cc1cc(OC(C)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.FC(F)(F)Cc1nnc2ccc(-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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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 IJJCZQAMGOVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C19H13F3N4O.C17H18F2N4O.C15H11F5N4O.C14H8F6N4O.C14H10F5N5O/c1-14(2)20-22-21-19-13-12-18(23-24(19)20)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16;20-19(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;1-10(2)16-21-20-15-8-7-14(22-23(15)16)13-6-5-12(9-11(13)3)24-17(4,18)19;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;1-13(15,16)7-25-11-5-2-8(6-20-11)9-3-4-10-21-22-12(14(17,18)19)24(10)23-9/h3-14H,1-2H3;1-11H,12H2;5-10H,1-4H3;3-7H,1-2H3;2-6H,1H3;2-6H,7H2,1H3.

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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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 2112.84 g/mol, XLogP of 24.90, 22 rotatable bonds, 0 hydrogen bond donors, and 31 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-propan-2-yl-[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;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-propan-2-yl-[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 158716423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).