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

C22H25N3O — CID 164667146

IUPAC4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-c1nnc(-c2ccccc2C)n1C1CCCCC1
InChIInChI=1S/C22H25N3O/c1-16-10-6-7-13-18(16)21-23-24-22(19-14-8-9-15-20(19)26-2)25(21)17-11-4-3-5-12-17/h6-10,13-15,17H,3-5,11-12H2,1-2H3
InChIKeyXRURDIWSLAYDEY-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.43
Rot. Bonds4

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

4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole (PubChem CID 164667146) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole
PubChem CID164667146
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-c1nnc(-c2ccccc2C)n1C1CCCCC1
InChIInChI=1S/C22H25N3O/c1-16-10-6-7-13-18(16)21-23-24-22(19-14-8-9-15-20(19)26-2)25(21)17-11-4-3-5-12-17/h6-10,13-15,17H,3-5,11-12H2,1-2H3
InChIKeyXRURDIWSLAYDEY-UHFFFAOYSA-N
XLogP5.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-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 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole (CID 164667146) is 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole is COc1ccccc1-c1nnc(-c2ccccc2C)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole?
The InChIKey is XRURDIWSLAYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-10-6-7-13-18(16)21-23-24-22(19-14-8-9-15-20(19)26-2)25(21)17-11-4-3-5-12-17/h6-10,13-15,17H,3-5,11-12H2,1-2H3.
What are the key properties of 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole?
4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole has a molecular weight of 347.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(2-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 164667146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).