3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine

C57H58N10O3 — CID 160963837

About 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine

3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine (PubChem CID 160963837) has the molecular formula C57H58N10O3 and a molecular weight of 931.16 g/mol. Its IUPAC name is 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine.

Molecular Properties

• Compound Name: 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine
• PubChem CID: 160963837
• Molecular Formula: C57H58N10O3
• Molecular Weight: 931.16 g/mol
• Exact Mass: 930.47
• IUPAC Name: 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine
• SMILES: COc1cc(C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1
• InChI: InChI=1S/C20H21N3O.C19H20N4O.C18H17N3O/c1-15(2)24-19-12-16(3)11-18(13-19)20-21-14-23(22-20)10-9-17-7-5-4-6-8-17;1-14(2)24-18-11-15(3)10-16(12-18)19-21-13-23(22-19)9-7-17-6-4-5-8-20-17;1-14-10-16(12-17(11-14)22-2)18-19-13-21(20-18)9-8-15-6-4-3-5-7-15/h4-15H,1-3H3;4-14H,1-3H3;3-13H,1-2H3/b10-9-;9-7-;9-8-
• InChIKey: SXIXHLUXOCFOGP-DYMIJREPSA-N
• XLogP: 12.62
• TPSA: 132.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.16
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?

The IUPAC name of 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine (CID 160963837) is 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine.

What is the SMILES notation for 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?

The canonical SMILES for 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine is COc1cc(C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.

What is the InChIKey of 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?

The InChIKey is SXIXHLUXOCFOGP-DYMIJREPSA-N. The full InChI is InChI=1S/C20H21N3O.C19H20N4O.C18H17N3O/c1-15(2)24-19-12-16(3)11-18(13-19)20-21-14-23(22-20)10-9-17-7-5-4-6-8-17;1-14(2)24-18-11-15(3)10-16(12-18)19-21-13-23(22-19)9-7-17-6-4-5-8-20-17;1-14-10-16(12-17(11-14)22-2)18-19-13-21(20-18)9-8-15-6-4-3-5-7-15/h4-15H,1-3H3;4-14H,1-3H3;3-13H,1-2H3/b10-9-;9-7-;9-8-.

What are the key properties of 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?

3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine has a molecular weight of 931.16 g/mol, XLogP of 12.62, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine is sourced from PubChem (CID 160963837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).