N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline

C16H22N4 — CID 43779547

IUPACN-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1ccnn1)C1CCCCC1
InChIInChI=1S/C16H22N4/c1-13(14-7-3-2-4-8-14)18-15-9-5-6-10-16(15)20-12-11-17-19-20/h5-6,9-14,18H,2-4,7-8H2,1H3
InChIKeyBZXLDSSHMJCXNI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline

N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline (PubChem CID 43779547) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
PubChem CID43779547
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1ccnn1)C1CCCCC1
InChIInChI=1S/C16H22N4/c1-13(14-7-3-2-4-8-14)18-15-9-5-6-10-16(15)20-12-11-17-19-20/h5-6,9-14,18H,2-4,7-8H2,1H3
InChIKeyBZXLDSSHMJCXNI-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclohexylethyl)-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-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline?
The IUPAC name of N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline (CID 43779547) is N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline is CC(Nc1ccccc1-n1ccnn1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline?
The InChIKey is BZXLDSSHMJCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(14-7-3-2-4-8-14)18-15-9-5-6-10-16(15)20-12-11-17-19-20/h5-6,9-14,18H,2-4,7-8H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline?
N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline is sourced from PubChem (CID 43779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).