3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole

C16H21N3 — CID 115393404

IUPAC3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2CCC2CCCCC2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)11-12-16-18-17-13-19(16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2
InChIKeyGAFBWHFGMGHMJE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole

3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393404) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
PubChem CID115393404
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2CCC2CCCCC2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)11-12-16-18-17-13-19(16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2
InChIKeyGAFBWHFGMGHMJE-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyclohexylethyl)-4-phenyl-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 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole (CID 115393404) is 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2CCC2CCCCC2)cc1.
What is the InChIKey of 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole?
The InChIKey is GAFBWHFGMGHMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-7-14(8-4-1)11-12-16-18-17-13-19(16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2.
What are the key properties of 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole?
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole has a molecular weight of 255.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).