3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C120H90F41N37O11 — CID 160723644

IUPAC3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/C17H13F5N4O2.4C15H12F5N5O.C15H11F5N4O3.C14H8F6N4O.C14H10F5N5O/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h2-6,9H,7-8H2,1H3;3-6H,7H2,1-2H3;3-8H,1-2H3;2*3-6H,7H2,1-2H3;3-7H,1-2H3;2-6H,1H3;2-6H,7H2,1H3
InChIKeyRTKQDBOPDXHJRO-UHFFFAOYSA-N
MW3005.21 g/mol
LogP28.76
Rot. Bonds32

About 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 160723644) has the molecular formula C120H90F41N37O11 and a molecular weight of 3005.21 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID160723644
Molecular FormulaC120H90F41N37O11
Molecular Weight3005.21 g/mol
Exact Mass3003.70
IUPAC Name3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/C17H13F5N4O2.4C15H12F5N5O.C15H11F5N4O3.C14H8F6N4O.C14H10F5N5O/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h2-6,9H,7-8H2,1H3;3-6H,7H2,1-2H3;3-8H,1-2H3;2*3-6H,7H2,1-2H3;3-7H,1-2H3;2-6H,1H3;2-6H,7H2,1H3
InChIKeyRTKQDBOPDXHJRO-UHFFFAOYSA-N
XLogP28.76
TPSA510.62 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003005.21
LogP ≤ 528.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 160723644) is 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)cnc1OCC(F)(F)F.Cc1cc(OCC(F)(F)F)ncc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1nc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RTKQDBOPDXHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O2.4C15H12F5N5O.C15H11F5N4O3.C14H8F6N4O.C14H10F5N5O/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-8-9(3-6-12(21-8)26-7-15(18,19)20)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8(15(18,19)20)26-12-6-3-9(7-21-12)10-4-5-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-12(26-7-15(18,19)20)21-6-9(8)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-8-5-9(6-21-12(8)26-7-15(18,19)20)10-3-4-11-22-23-13(14(2,16)17)25(11)24-10;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-13(16,17)12-22-21-11-5-3-9(23-24(11)12)7-2-4-10(8(15)6-7)25-14(18,19)20;1-13(15,16)12-22-21-10-4-3-9(23-24(10)12)8-2-5-11(20-6-8)25-7-14(17,18)19/h2-6,9H,7-8H2,1H3;3-6H,7H2,1-2H3;3-8H,1-2H3;2*3-6H,7H2,1-2H3;3-7H,1-2H3;2-6H,1H3;2-6H,7H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 3005.21 g/mol, XLogP of 28.76, 32 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 160723644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).