3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol

C130H105F31N36O7 — CID 158311032

IUPAC3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1.CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CC4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3cnc(C(F)(F)F)c(F)c3)nn12.COc1cc(C(C)(C)OC)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C18H15F2N5.C18H20F2N4O2.C17H13F5N4O.C17H12F3N5.C16H11F7N4O2.C16H16F2N4O.C15H11F4N5O.C13H7F6N5/c1-11-9-12(18(10-21)7-8-18)3-4-13(11)14-5-6-15-22-23-16(17(2,19)20)25(15)24-14;1-17(2,26-5)11-6-7-12(14(10-11)25-4)13-8-9-15-21-22-16(18(3,19)20)24(15)23-13;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-16(19,20)15-23-22-14-5-4-13(24-25(14)15)10-2-3-11(12(18)8-10)17(9-21)6-7-17;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(2,23)11-6-4-10(5-7-11)12-8-9-13-19-20-14(16(3,17)18)22(13)21-12;16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;1-12(15,16)11-22-21-9-3-2-8(23-24(9)11)6-4-7(14)10(20-5-6)13(17,18)19/h3-6,9H,7-8H2,1-2H3;6-10H,1-5H3;2-6,10H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-6,14H,7H2,1H3;4-9,23H,1-3H3;3-6,8H,1-2,7H2;2-5H,1H3
InChIKeyGNRJUZIZTXNUBI-UHFFFAOYSA-N
MW2872.45 g/mol
LogP29.65
Rot. Bonds30

About 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol

3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol (PubChem CID 158311032) has the molecular formula C130H105F31N36O7 and a molecular weight of 2872.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol
PubChem CID158311032
Molecular FormulaC130H105F31N36O7
Molecular Weight2872.45 g/mol
Exact Mass2870.85
IUPAC Name3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1.CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CC4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3cnc(C(F)(F)F)c(F)c3)nn12.COc1cc(C(C)(C)OC)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C18H15F2N5.C18H20F2N4O2.C17H13F5N4O.C17H12F3N5.C16H11F7N4O2.C16H16F2N4O.C15H11F4N5O.C13H7F6N5/c1-11-9-12(18(10-21)7-8-18)3-4-13(11)14-5-6-15-22-23-16(17(2,19)20)25(15)24-14;1-17(2,26-5)11-6-7-12(14(10-11)25-4)13-8-9-15-21-22-16(18(3,19)20)24(15)23-13;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-16(19,20)15-23-22-14-5-4-13(24-25(14)15)10-2-3-11(12(18)8-10)17(9-21)6-7-17;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(2,23)11-6-4-10(5-7-11)12-8-9-13-19-20-14(16(3,17)18)22(13)21-12;16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;1-12(15,16)11-22-21-9-3-2-8(23-24(9)11)6-4-7(14)10(20-5-6)13(17,18)19/h3-6,9H,7-8H2,1-2H3;6-10H,1-5H3;2-6,10H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-6,14H,7H2,1H3;4-9,23H,1-3H3;3-6,8H,1-2,7H2;2-5H,1H3
InChIKeyGNRJUZIZTXNUBI-UHFFFAOYSA-N
XLogP29.65
TPSA493.61 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds30
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002872.45
LogP ≤ 529.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol?
The IUPAC name of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol (CID 158311032) is 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol.
What is the SMILES notation for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol?
The canonical SMILES for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1.CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CC4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3cnc(C(F)(F)F)c(F)c3)nn12.COc1cc(C(C)(C)OC)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Fc1cc(-c2ccc3nnc(C4CC4)n3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol?
The InChIKey is GNRJUZIZTXNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5.C18H20F2N4O2.C17H13F5N4O.C17H12F3N5.C16H11F7N4O2.C16H16F2N4O.C15H11F4N5O.C13H7F6N5/c1-11-9-12(18(10-21)7-8-18)3-4-13(11)14-5-6-15-22-23-16(17(2,19)20)25(15)24-14;1-17(2,26-5)11-6-7-12(14(10-11)25-4)13-8-9-15-21-22-16(18(3,19)20)24(15)23-13;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-16(19,20)15-23-22-14-5-4-13(24-25(14)15)10-2-3-11(12(18)8-10)17(9-21)6-7-17;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(2,23)11-6-4-10(5-7-11)12-8-9-13-19-20-14(16(3,17)18)22(13)21-12;16-10-5-9(6-20-14(10)25-7-15(17,18)19)11-3-4-12-21-22-13(8-1-2-8)24(12)23-11;1-12(15,16)11-22-21-9-3-2-8(23-24(9)11)6-4-7(14)10(20-5-6)13(17,18)19/h3-6,9H,7-8H2,1-2H3;6-10H,1-5H3;2-6,10H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-6,14H,7H2,1H3;4-9,23H,1-3H3;3-6,8H,1-2,7H2;2-5H,1H3.
What are the key properties of 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol?
3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol has a molecular weight of 2872.45 g/mol, XLogP of 29.65, 30 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(2-methoxypropan-2-yl)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]-2-fluorophenyl]cyclopropane-1-carbonitrile;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylphenyl]cyclopropane-1-carbonitrile;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol is sourced from PubChem (CID 158311032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).