6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C79H51ClF18N20O5 — CID 157123961

About 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 157123961) has the molecular formula C79H51ClF18N20O5 and a molecular weight of 1737.83 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 157123961
• Molecular Formula: C79H51ClF18N20O5
• Molecular Weight: 1737.83 g/mol
• Exact Mass: 1736.38
• IUPAC Name: 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)F)n3n2)ccc1OC(F)(F)F.c1ccc(Oc2ccc(-c3ccc4nnc(C5CC5)n4n3)cc2)cc1
• InChI: InChI=1S/C20H16N4O.C18H10ClF3N4O.C14H9F5N4O.C14H10F4N4O.C13H6F6N4O/c1-2-4-16(5-3-1)25-17-10-8-14(9-11-17)18-12-13-19-21-22-20(15-6-7-15)24(19)23-18;19-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)15-9-10-16-23-24-17(18(20,21)22)26(16)25-15;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;1-14(17,18)23-9-4-2-8(3-5-9)10-6-7-11-19-20-13(12(15)16)22(11)21-10;14-7-5-6(1-3-9(7)24-13(17,18)19)8-2-4-10-20-21-12(11(15)16)23(10)22-8/h1-5,8-13,15H,6-7H2;1-10H;2-7H,1H3;2-7,12H,1H3;1-5,11H
• InChIKey: AIHNCKIAGIEQII-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 261.55 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.83
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 157123961) is 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)F)n3n2)ccc1OC(F)(F)F.c1ccc(Oc2ccc(-c3ccc4nnc(C5CC5)n4n3)cc2)cc1.

What is the InChIKey of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is AIHNCKIAGIEQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O.C18H10ClF3N4O.C14H9F5N4O.C14H10F4N4O.C13H6F6N4O/c1-2-4-16(5-3-1)25-17-10-8-14(9-11-17)18-12-13-19-21-22-20(15-6-7-15)24(19)23-18;19-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)15-9-10-16-23-24-17(18(20,21)22)26(16)25-15;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;1-14(17,18)23-9-4-2-8(3-5-9)10-6-7-11-19-20-13(12(15)16)22(11)21-10;14-7-5-6(1-3-9(7)24-13(17,18)19)8-2-4-10-20-21-12(11(15)16)23(10)22-8/h1-5,8-13,15H,6-7H2;1-10H;2-7H,1H3;2-7,12H,1H3;1-5,11H.

What are the key properties of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1737.83 g/mol, XLogP of 21.01, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 157123961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).