6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C98H63ClF24N24O6 — CID 159845645

About 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 159845645) has the molecular formula C98H63ClF24N24O6 and a molecular weight of 2164.15 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[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;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 159845645
• Molecular Formula: C98H63ClF24N24O6
• Molecular Weight: 2164.15 g/mol
• Exact Mass: 2162.47
• IUPAC Name: 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(C)c1nnc2ccc(-c3cc(F)c(Oc4ccccc4)c(F)c3)nn12.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1F.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1
• InChI: InChI=1S/C20H16F2N4O.C18H10ClF3N4O.C18H9F5N4O.2C14H9F5N4O.C14H10F4N4O/c1-12(2)20-24-23-18-9-8-17(25-26(18)20)13-10-15(21)19(16(22)11-13)27-14-6-4-3-5-7-14;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;19-12-8-10(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;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(18,19)24-10-4-2-7(6-8(10)15)9-3-5-11-20-21-13(12(16)17)23(11)22-9;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/h3-12H,1-2H3;1-10H;1-9H;2-7H,1H3;2-6,12H,1H3;2-7,12H,1H3
• InChIKey: NPGLOIRXUUSPJM-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 313.86 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.15
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[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;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 159845645) is 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[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;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[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;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1nnc2ccc(-c3cc(F)c(Oc4ccccc4)c(F)c3)nn12.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1.CC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)F)n3n2)cc1F.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1.

What is the InChIKey of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is NPGLOIRXUUSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O.C18H10ClF3N4O.C18H9F5N4O.2C14H9F5N4O.C14H10F4N4O/c1-12(2)20-24-23-18-9-8-17(25-26(18)20)13-10-15(21)19(16(22)11-13)27-14-6-4-3-5-7-14;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;19-12-8-10(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;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(18,19)24-10-4-2-7(6-8(10)15)9-3-5-11-20-21-13(12(16)17)23(11)22-9;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/h3-12H,1-2H3;1-10H;1-9H;2-7H,1H3;2-6,12H,1H3;2-7,12H,1H3.

What are the key properties of 6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

6-[4-(4-chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2164.15 g/mol, XLogP of 26.50, 21 rotatable bonds, 0 hydrogen bond donors, and 30 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;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[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;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 159845645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).