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

C80H54F12N20O5 — CID 159938019

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

6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159938019) has the molecular formula C80H54F12N20O5 and a molecular weight of 1603.42 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 159938019
• Molecular Formula: C80H54F12N20O5
• Molecular Weight: 1603.42 g/mol
• Exact Mass: 1602.44
• IUPAC Name: 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(F)(F)Oc1ccc(-c2ccc3nncn3n2)cc1.CC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.c1ccc(Oc2ccc(-c3ccc4nncn4n3)cc2)cc1
• InChI: InChI=1S/C18H11F3N4O.C18H12F2N4O.C17H12N4O.C14H9F5N4O.C13H10F2N4O/c19-18(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;19-17(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;1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-17-19-18-12-21(17)20-16;1-13(15,16)24-9-4-2-8(3-5-9)10-7-23-11(6-20-10)21-22-12(23)14(17,18)19;1-13(14,15)20-10-4-2-9(3-5-10)11-6-7-12-17-16-8-19(12)18-11/h1-11H;1-11,17H;1-12H;2-7H,1H3;2-8H,1H3
• InChIKey: OAMXNOMIDOJYQE-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 261.55 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.42
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 159938019) is 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

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

The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)Oc1ccc(-c2ccc3nncn3n2)cc1.CC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.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-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is OAMXNOMIDOJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O.C18H12F2N4O.C17H12N4O.C14H9F5N4O.C13H10F2N4O/c19-18(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;19-17(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;1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-17-19-18-12-21(17)20-16;1-13(15,16)24-9-4-2-8(3-5-9)10-7-23-11(6-20-10)21-22-12(23)14(17,18)19;1-13(14,15)20-10-4-2-9(3-5-10)11-6-7-12-17-16-8-19(12)18-11/h1-11H;1-11,17H;1-12H;2-7H,1H3;2-8H,1H3.

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

6-[4-(1,1-difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1603.42 g/mol, XLogP of 19.29, 16 rotatable bonds, 0 hydrogen bond donors, and 25 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-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159938019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).