7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide

C106H78ClF35N30O10 — CID 161383237

IUPAC7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.CC(F)(F)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(F)(F)F)cc3)nn12.COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.COCc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F5N5O2.2C16H13F5N4O2.2C15H11F5N4O.C14H8ClF5N4O.C14H10F5N5O/c1-8(27)22-12-7-11(9-3-5-10(6-4-9)28-16(19,20)21)25-26-13(12)23-24-14(26)15(2,17)18;1-15(17,18)14-23-22-12-7-10(8-26-2)13(24-25(12)14)9-3-5-11(6-4-9)27-16(19,20)21;1-15(17,18)14-23-22-13-10(8-26-2)7-12(24-25(13)14)9-3-5-11(6-4-9)27-16(19,20)21;1-8-7-11-21-22-13(14(2,16)17)24(11)23-12(8)9-3-5-10(6-4-9)25-15(18,19)20;1-8-7-11(9-3-5-10(6-4-9)25-15(18,19)20)23-24-12(8)21-22-13(24)14(2,16)17;1-13(16,17)12-22-21-10-6-9(15)11(23-24(10)12)7-2-4-8(5-3-7)25-14(18,19)20;1-13(15,16)12-22-21-11-9(20)6-10(23-24(11)12)7-2-4-8(5-3-7)25-14(17,18)19/h3-7H,1-2H3,(H,22,27);2*3-7H,8H2,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2-6H,20H2,1H3
InChIKeyVRZNVWBUBYKGLK-UHFFFAOYSA-N
MW2632.37 g/mol
LogP27.71
Rot. Bonds26

About 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide

7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide (PubChem CID 161383237) has the molecular formula C106H78ClF35N30O10 and a molecular weight of 2632.37 g/mol. Its IUPAC name is 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide.

Molecular Properties

Compound Name7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
PubChem CID161383237
Molecular FormulaC106H78ClF35N30O10
Molecular Weight2632.37 g/mol
Exact Mass2630.56
IUPAC Name7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.CC(F)(F)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(F)(F)F)cc3)nn12.COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.COCc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F5N5O2.2C16H13F5N4O2.2C15H11F5N4O.C14H8ClF5N4O.C14H10F5N5O/c1-8(27)22-12-7-11(9-3-5-10(6-4-9)28-16(19,20)21)25-26-13(12)23-24-14(26)15(2,17)18;1-15(17,18)14-23-22-12-7-10(8-26-2)13(24-25(12)14)9-3-5-11(6-4-9)27-16(19,20)21;1-15(17,18)14-23-22-13-10(8-26-2)7-12(24-25(13)14)9-3-5-11(6-4-9)27-16(19,20)21;1-8-7-11-21-22-13(14(2,16)17)24(11)23-12(8)9-3-5-10(6-4-9)25-15(18,19)20;1-8-7-11(9-3-5-10(6-4-9)25-15(18,19)20)23-24-12(8)21-22-13(24)14(2,16)17;1-13(16,17)12-22-21-10-6-9(15)11(23-24(10)12)7-2-4-8(5-3-7)25-14(18,19)20;1-13(15,16)12-22-21-11-9(20)6-10(23-24(11)12)7-2-4-8(5-3-7)25-14(17,18)19/h3-7H,1-2H3,(H,22,27);2*3-7H,8H2,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2-6H,20H2,1H3
InChIKeyVRZNVWBUBYKGLK-UHFFFAOYSA-N
XLogP27.71
TPSA439.75 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.37
LogP ≤ 527.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide with MolForge

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Related Compounds

6-[4-(4-Chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157123961
8-(2H-benzotriazol-5-yl)-7-(2,4-difluorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-2-ethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 157998234
CID 158064756
CID 158064756
7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 158249713
5-amino-N-[(2,4-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide;8-(2H-benzotriazol-5-yl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-chlorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(cyclopropylamino)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-[(2-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(2-methoxyphenyl)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158687702
7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
CID 159363853
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol
CID 159392226
6-[4-(4-Chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-3-fluorophenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 159845645
2-[6-chloro-5,7-dimethyl-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide;N,N-diethyl-2-[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[5-methyl-2-(4-propoxyphenyl)-7-propylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[5-methyl-2-(4-propoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 160155962
7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-[4-[2-[[3-(difluoromethyl)phenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;N-[(2-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 160358869
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 160733835
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide
CID 161126038

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide?
The IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide (CID 161383237) is 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide.
What is the SMILES notation for 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide?
The canonical SMILES for 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide is CC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.CC(F)(F)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(F)(F)F)cc3)nn12.COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.COCc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide?
The InChIKey is VRZNVWBUBYKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N5O2.2C16H13F5N4O2.2C15H11F5N4O.C14H8ClF5N4O.C14H10F5N5O/c1-8(27)22-12-7-11(9-3-5-10(6-4-9)28-16(19,20)21)25-26-13(12)23-24-14(26)15(2,17)18;1-15(17,18)14-23-22-12-7-10(8-26-2)13(24-25(12)14)9-3-5-11(6-4-9)27-16(19,20)21;1-15(17,18)14-23-22-13-10(8-26-2)7-12(24-25(13)14)9-3-5-11(6-4-9)27-16(19,20)21;1-8-7-11-21-22-13(14(2,16)17)24(11)23-12(8)9-3-5-10(6-4-9)25-15(18,19)20;1-8-7-11(9-3-5-10(6-4-9)25-15(18,19)20)23-24-12(8)21-22-13(24)14(2,16)17;1-13(16,17)12-22-21-10-6-9(15)11(23-24(10)12)7-2-4-8(5-3-7)25-14(18,19)20;1-13(15,16)12-22-21-11-9(20)6-10(23-24(11)12)7-2-4-8(5-3-7)25-14(17,18)19/h3-7H,1-2H3,(H,22,27);2*3-7H,8H2,1-2H3;2*3-7H,1-2H3;2-6H,1H3;2-6H,20H2,1H3.
What are the key properties of 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide?
7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide has a molecular weight of 2632.37 g/mol, XLogP of 27.71, 26 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide is sourced from PubChem (CID 161383237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).