6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C66H42F10N16O4 — CID 160539215

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

6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 160539215) has the molecular formula C66H42F10N16O4 and a molecular weight of 1313.15 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 160539215
• Molecular Formula: C66H42F10N16O4
• Molecular Weight: 1313.15 g/mol
• Exact Mass: 1312.34
• IUPAC Name: 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)Oc1ccc(-c2ccc3nncn3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1.c1ccc(Oc2ccc(-c3ccc4nncn4n3)cc2)cc1
• InChI: InChI=1S/C18H9F5N4O.C18H11F3N4O.C17H12N4O.C13H10F2N4O/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)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-17-19-18-12-21(17)20-16;1-13(14,15)20-10-4-2-9(3-5-10)11-6-7-12-17-16-8-19(12)18-11/h1-9H;1-11H;1-12H;2-8H,1H3
• InChIKey: QWODLFTZCCRGSY-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 209.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1313.15
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 160539215) is 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;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]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)Oc1ccc(-c2ccc3nncn3n2)cc1.FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cc(F)c1Oc1ccccc1.c1ccc(Oc2ccc(-c3ccc4nncn4n3)cc2)cc1.

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

The InChIKey is QWODLFTZCCRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4O.C18H11F3N4O.C17H12N4O.C13H10F2N4O/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)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-17-19-18-12-21(17)20-16;1-13(14,15)20-10-4-2-9(3-5-10)11-6-7-12-17-16-8-19(12)18-11/h1-9H;1-11H;1-12H;2-8H,1H3.

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

6-[4-(1,1-difluoroethoxy)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1313.15 g/mol, XLogP of 15.85, 12 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)phenyl]-[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-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 160539215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).