About 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole
3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole (PubChem CID 158536431) has the molecular formula C130H116F15N41O6S
and a molecular weight of 2665.68 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole.
Frequently Asked Questions
What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole (CID 158536431) is 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole is Cc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cnnc(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nc4ccccc4o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncn(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(CC(F)(F)F)nc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3CC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nsnc3OC(F)(F)F)n2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole?
The InChIKey is HNZOXAOATHXJTA-AJCRVFRUSA-N. The full InChI is InChI=1S/C19H16N4O.C17H14F6N6O.C17H16N4.C16H14F3N5O.C16H16N6.C15H12F3N5O2.C15H12F3N5OS.C15H16N6/c1-13-9-14(2)11-15(10-13)19-20-12-23(22-19)8-7-18-21-16-5-3-4-6-17(16)24-18;1-10-5-11(2)7-12(6-10)14-24-9-28(26-14)4-3-13-15(30-17(21,22)23)27-29(25-13)8-16(18,19)20;1-13-9-14(2)11-15(10-13)17-19-12-21(20-17)8-6-16-5-3-4-7-18-16;1-10-5-11(2)7-12(6-10)15-20-9-24(21-15)4-3-13-14(23-25-22-13)8-16(17,18)19;1-11-6-12(2)8-14(7-11)16-17-10-22(21-16)5-4-15-9-18-20-13(3)19-15;2*1-9-5-10(2)7-11(6-9)13-19-8-23(20-13)4-3-12-14(22-25-21-12)24-15(16,17)18;1-11-6-12(2)8-13(7-11)15-17-10-21(19-15)5-4-14-16-9-20(3)18-14/h3-12H,1-2H3;3-7,9H,8H2,1-2H3;3-12H,1-2H3;3-7,9H,8H2,1-2H3;4-10H,1-3H3;2*3-8H,1-2H3;4-10H,1-3H3/b8-7-;4-3-;8-6-;4-3-;5-4-;2*4-3-;5-4-.
What are the key properties of 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole?
3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole has a molecular weight of 2665.68 g/mol, XLogP of 28.25, 29 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 158536431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).