6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C99H60F23N25O6 — CID 157166926

About 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 157166926) has the molecular formula C99H60F23N25O6 and a molecular weight of 2132.69 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 157166926
• Molecular Formula: C99H60F23N25O6
• Molecular Weight: 2132.69 g/mol
• Exact Mass: 2131.48
• IUPAC Name: 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ncc3nnc(C(F)(F)F)n3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1
• InChI: InChI=1S/C18H9F5N4O.2C18H11F3N4O.C18H12F2N4O.C14H9F5N4O.C13H8F5N5O/c19-12-8-10(9-13(20)16(12)28-11-4-2-1-3-5-11)14-6-7-15-24-25-17(18(21,22)23)27(15)26-14;19-18(20,21)17-24-23-16-10-22-15(11-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-18(20,21)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-13(15,16)24-9-4-2-8(3-5-9)10-6-7-11-20-21-12(14(17,18)19)23(11)22-10;1-12(14,15)24-8-4-2-7(3-5-8)10-19-6-9-20-21-11(13(16,17)18)23(9)22-10/h1-9H;2*1-11H;1-11,17H;2-7H,1H3;2-6H,1H3
• InChIKey: ANAGWSCECZSIKL-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 326.75 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.69
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 157166926) is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ncc3nnc(C(F)(F)F)n3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1.

What is the InChIKey of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is ANAGWSCECZSIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4O.2C18H11F3N4O.C18H12F2N4O.C14H9F5N4O.C13H8F5N5O/c19-12-8-10(9-13(20)16(12)28-11-4-2-1-3-5-11)14-6-7-15-24-25-17(18(21,22)23)27(15)26-14;19-18(20,21)17-24-23-16-10-22-15(11-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-18(20,21)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-13(15,16)24-9-4-2-8(3-5-9)10-6-7-11-20-21-12(14(17,18)19)23(11)22-10;1-12(14,15)24-8-4-2-7(3-5-8)10-19-6-9-20-21-11(13(16,17)18)23(9)22-10/h1-9H;2*1-11H;1-11,17H;2-7H,1H3;2-6H,1H3.

What are the key properties of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2132.69 g/mol, XLogP of 25.60, 19 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)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 157166926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).