3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole

C22H19N3O — CID 102231682

IUPAC3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-16-8-12-19(13-9-16)25-21(17-6-4-3-5-7-17)23-24-22(25)18-10-14-20(26-2)15-11-18/h3-15H,1-2H3
InChIKeyWPVNGEKWRRLALW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds4

About 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole

3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole (PubChem CID 102231682) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
PubChem CID102231682
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-16-8-12-19(13-9-16)25-21(17-6-4-3-5-7-17)23-24-22(25)18-10-14-20(26-2)15-11-18/h3-15H,1-2H3
InChIKeyWPVNGEKWRRLALW-UHFFFAOYSA-N
XLogP4.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
4-(4-methoxyphenyl)-3-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole
CID 2193973
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole
CID 2038918
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
CID 118898296
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole
CID 4540411
3-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 78762972
2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 4856146

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole (CID 102231682) is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole is COc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is WPVNGEKWRRLALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16-8-12-19(13-9-16)25-21(17-6-4-3-5-7-17)23-24-22(25)18-10-14-20(26-2)15-11-18/h3-15H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole?
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 341.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 102231682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).