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

C37H37N7O2 — CID 161294550

IUPAC2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1
InChIInChI=1S/C20H21N3O.C17H16N4O/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;1-13-9-14(11-16(10-13)22-2)17-19-12-21(20-17)8-6-15-5-3-4-7-18-15/h4-15H,1-3H3;3-12H,1-2H3/b10-9-;8-6-
InChIKeyVGUKRCDDYMZFND-HENFQRMLSA-N
MW611.75 g/mol
LogP7.95
Rot. Bonds9

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

2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole (PubChem CID 161294550) has the molecular formula C37H37N7O2 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole
PubChem CID161294550
Molecular FormulaC37H37N7O2
Molecular Weight611.75 g/mol
Exact Mass611.30
IUPAC Name2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1
InChIInChI=1S/C20H21N3O.C17H16N4O/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;1-13-9-14(11-16(10-13)22-2)17-19-12-21(20-17)8-6-15-5-3-4-7-18-15/h4-15H,1-3H3;3-12H,1-2H3/b10-9-;8-6-
InChIKeyVGUKRCDDYMZFND-HENFQRMLSA-N
XLogP7.95
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

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CID 10337498
5-(3-((2H-1,2,3-triazol-2-yl)methyl)-5-(4-ethoxy-3-methylphenyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 44579442
4-[6-[3-(3-Methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
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[3-[6-(3-Phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole?
The IUPAC name of 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole (CID 161294550) is 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole.
What is the SMILES notation for 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole?
The canonical SMILES for 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole is COc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccc3)n2)c1.
What is the InChIKey of 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole?
The InChIKey is VGUKRCDDYMZFND-HENFQRMLSA-N. The full InChI is InChI=1S/C20H21N3O.C17H16N4O/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;1-13-9-14(11-16(10-13)22-2)17-19-12-21(20-17)8-6-15-5-3-4-7-18-15/h4-15H,1-3H3;3-12H,1-2H3/b10-9-;8-6-.
What are the key properties of 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole?
2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole has a molecular weight of 611.75 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-(3-methyl-5-propan-2-yloxyphenyl)-1-[(Z)-2-phenylethenyl]-1,2,4-triazole is sourced from PubChem (CID 161294550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).