N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline

C16H22N4 — CID 64733183

IUPACN-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC1CCC(Nc2ccccc2-n2ccnn2)CC1C
InChIInChI=1S/C16H22N4/c1-12-7-8-14(11-13(12)2)18-15-5-3-4-6-16(15)20-10-9-17-19-20/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3
InChIKeyGVQDUXKVRFHDNC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline

N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline (PubChem CID 64733183) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
PubChem CID64733183
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC1CCC(Nc2ccccc2-n2ccnn2)CC1C
InChIInChI=1S/C16H22N4/c1-12-7-8-14(11-13(12)2)18-15-5-3-4-6-16(15)20-10-9-17-19-20/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3
InChIKeyGVQDUXKVRFHDNC-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline 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 N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline (CID 64733183) is N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline is CC1CCC(Nc2ccccc2-n2ccnn2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The InChIKey is GVQDUXKVRFHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-7-8-14(11-13(12)2)18-15-5-3-4-6-16(15)20-10-9-17-19-20/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline is sourced from PubChem (CID 64733183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).