2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline

C15H20N4 — CID 62710243

IUPAC2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nncn1C1CCCCC1
InChIInChI=1S/C15H20N4/c1-16-14-10-6-5-9-13(14)15-18-17-11-19(15)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyXZVABTVHLLKEIM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline

2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline (PubChem CID 62710243) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
PubChem CID62710243
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nncn1C1CCCCC1
InChIInChI=1S/C15H20N4/c1-16-14-10-6-5-9-13(14)15-18-17-11-19(15)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyXZVABTVHLLKEIM-UHFFFAOYSA-N
XLogP3.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline 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 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline (CID 62710243) is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline.
What is the SMILES notation for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The canonical SMILES for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline is CNc1ccccc1-c1nncn1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
The InChIKey is XZVABTVHLLKEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-14-10-6-5-9-13(14)15-18-17-11-19(15)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline?
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline is sourced from PubChem (CID 62710243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).