5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

C18H19N3O3 — CID 46237186

IUPAC5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2ncnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19N3O3/c1-12-5-7-13(8-6-12)18-19-11-20-21(18)14-9-15(22-2)17(24-4)16(10-14)23-3/h5-11H,1-4H3
InChIKeyQKUOHEFWHQIIDZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.27
Rot. Bonds5

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

5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (PubChem CID 46237186) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
PubChem CID46237186
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2ncnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19N3O3/c1-12-5-7-13(8-6-12)18-19-11-20-21(18)14-9-15(22-2)17(24-4)16(10-14)23-3/h5-11H,1-4H3
InChIKeyQKUOHEFWHQIIDZ-UHFFFAOYSA-N
XLogP3.27
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (CID 46237186) is 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is COc1cc(-n2ncnc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The InChIKey is QKUOHEFWHQIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-5-7-13(8-6-12)18-19-11-20-21(18)14-9-15(22-2)17(24-4)16(10-14)23-3/h5-11H,1-4H3.
What are the key properties of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole has a molecular weight of 325.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 46237186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).