3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 — IUPAC name, SMILES, InChIKey & properties

Name: 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 159844628) has the molecular formula C70H69N15O5 and a molecular weight of 1200.42 g/mol. Its IUPAC name is 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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	159844628
Molecular Formula	C70H69N15O5
Molecular Weight	1200.42 g/mol
Exact Mass	1199.56
IUPAC Name	3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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(O)cc(-c2ncn(/C=C\c3nnco3)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.C13H11N5O2/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;1-9-4-10(6-11(19)5-9)13-14-7-18(17-13)3-2-12-16-15-8-20-12/h4-15H,1-3H3;4-14H,1-3H3;3-13H,1-2H3;2-8,19H,1H3/b10-9-;9-7-;9-8-;3-2-
InChIKey	NPDFLXDFLOYKBF-MIJLIFBDSA-N
XLogP	14.59
TPSA	222.57 Å²
H-Bond Donors	1
H-Bond Acceptors	20
Rotatable Bonds	17
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.42
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Analyze 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 159844628) is 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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(O)cc(-c2ncn(/C=C\c3nnco3)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-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 NPDFLXDFLOYKBF-MIJLIFBDSA-N. The full InChI is InChI=1S/C20H21N3O.C19H20N4O.C18H17N3O.C13H11N5O2/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;1-9-4-10(6-11(19)5-9)13-14-7-18(17-13)3-2-12-16-15-8-20-12/h4-15H,1-3H3;4-14H,1-3H3;3-13H,1-2H3;2-8,19H,1H3/b10-9-;9-7-;9-8-;3-2-.

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

Where does this data come from?

All data for 3-(3-methoxy-5-methylphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;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 159844628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).