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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole

C89H82ClF3N28O6S — CID 161148340

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole (PubChem CID 161148340) has the molecular formula C89H82ClF3N28O6S and a molecular weight of 1764.34 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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole.

Molecular Properties

• Compound Name: 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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole
• PubChem CID: 161148340
• Molecular Formula: C89H82ClF3N28O6S
• Molecular Weight: 1764.34 g/mol
• Exact Mass: 1762.63
• IUPAC Name: 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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole
• SMILES: Cc1cc(C)cc(-c2ncn(/C=C\c3ccon3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cnco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncn(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nsnc3OCl)n2)c1
• InChI: InChI=1S/C15H12F3N5O2.C15H16N6.3C15H14N4O.C14H12ClN5OS/c1-9-5-10(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;1-11-7-12(2)9-13(8-11)15-17-10-19(18-15)5-3-14-16-4-6-20-14;1-11-7-12(2)9-13(8-11)15-16-10-19(17-15)5-3-14-4-6-20-18-14;1-11-5-12(2)7-13(6-11)15-17-9-19(18-15)4-3-14-8-16-10-20-14;1-9-5-10(2)7-11(6-9)13-16-8-20(17-13)4-3-12-14(21-15)19-22-18-12/h3-8H,1-2H3;4-10H,1-3H3;3*3-10H,1-2H3;3-8H,1-2H3/b4-3-;5-4-;2*5-3-;2*4-3-
• InChIKey: UOIUQUVOHCUREZ-CZJUIGQTSA-N
• XLogP: 18.90
• TPSA: 376.22 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.34
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole?

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole (CID 161148340) 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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole.

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole?

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole is Cc1cc(C)cc(-c2ncn(/C=C\c3ccon3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cnco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncn(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nsnc3OCl)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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole?

The InChIKey is UOIUQUVOHCUREZ-CZJUIGQTSA-N. The full InChI is InChI=1S/C15H12F3N5O2.C15H16N6.3C15H14N4O.C14H12ClN5OS/c1-9-5-10(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;1-11-7-12(2)9-13(8-11)15-17-10-19(18-15)5-3-14-16-4-6-20-14;1-11-7-12(2)9-13(8-11)15-16-10-19(17-15)5-3-14-4-6-20-18-14;1-11-5-12(2)7-13(6-11)15-17-9-19(18-15)4-3-14-8-16-10-20-14;1-9-5-10(2)7-11(6-9)13-16-8-20(17-13)4-3-12-14(21-15)19-22-18-12/h3-8H,1-2H3;4-10H,1-3H3;3*3-10H,1-2H3;3-8H,1-2H3/b4-3-;5-4-;2*5-3-;2*4-3-.

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole?

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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole has a molecular weight of 1764.34 g/mol, XLogP of 18.90, 20 rotatable bonds, 0 hydrogen bond donors, and 35 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-oxazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;[4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,5-thiadiazol-3-yl] hypochlorite;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole is sourced from PubChem (CID 161148340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).