6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C91H67F24N25O6 — CID 159006135

About 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 159006135) has the molecular formula C91H67F24N25O6 and a molecular weight of 2062.66 g/mol. Its IUPAC name is 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 159006135
• Molecular Formula: C91H67F24N25O6
• Molecular Weight: 2062.66 g/mol
• Exact Mass: 2061.53
• IUPAC Name: 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3F)nn12.CC(F)(F)c1nnc2ccc(-c3cccc(OC(F)(F)F)c3F)nn12.CCc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.COc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(C2CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
• InChI: InChI=1S/C18H15F2N5O.C17H16F2N4O.2C14H8F6N4O.C14H9F5N4O.C14H11F3N4O/c1-17(19,20)16-23-22-15-6-5-13(24-25(15)16)12-4-3-11(9-14(12)26-2)18(10-21)7-8-18;1-17(18,19)16-21-20-15-8-7-13(22-23(15)16)12-6-5-11(10-3-4-10)9-14(12)24-2;1-13(16,17)12-22-21-11-5-4-10(23-24(11)12)8-3-2-7(6-9(8)15)25-14(18,19)20;1-13(16,17)12-22-21-10-6-5-8(23-24(10)12)7-3-2-4-9(11(7)15)25-14(18,19)20;1-13(15,16)12-21-20-11-7-6-10(22-23(11)12)8-2-4-9(5-3-8)24-14(17,18)19;1-2-12-18-19-13-8-7-11(20-21(12)13)9-3-5-10(6-4-9)22-14(15,16)17/h3-6,9H,7-8H2,1-2H3;5-10H,3-4H2,1-2H3;2*2-6H,1H3;2-7H,1H3;3-8H,2H2,1H3
• InChIKey: JRYCZGHAOPRAOM-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 337.65 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.66
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 159006135) is 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3F)nn12.CC(F)(F)c1nnc2ccc(-c3cccc(OC(F)(F)F)c3F)nn12.CCc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.COc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(C2CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.

What is the InChIKey of 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is JRYCZGHAOPRAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O.C17H16F2N4O.2C14H8F6N4O.C14H9F5N4O.C14H11F3N4O/c1-17(19,20)16-23-22-15-6-5-13(24-25(15)16)12-4-3-11(9-14(12)26-2)18(10-21)7-8-18;1-17(18,19)16-21-20-15-8-7-13(22-23(15)16)12-6-5-11(10-3-4-10)9-14(12)24-2;1-13(16,17)12-22-21-11-5-4-10(23-24(11)12)8-3-2-7(6-9(8)15)25-14(18,19)20;1-13(16,17)12-22-21-10-6-5-8(23-24(10)12)7-3-2-4-9(11(7)15)25-14(18,19)20;1-13(15,16)12-21-20-11-7-6-10(22-23(11)12)8-2-4-9(5-3-8)24-14(17,18)19;1-2-12-18-19-13-8-7-11(20-21(12)13)9-3-5-10(6-4-9)22-14(15,16)17/h3-6,9H,7-8H2,1-2H3;5-10H,3-4H2,1-2H3;2*2-6H,1H3;2-7H,1H3;3-8H,2H2,1H3.

What are the key properties of 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2062.66 g/mol, XLogP of 22.19, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 159006135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).