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

C17H24N4 — CID 62711781

IUPACN-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nncn1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-14-7-5-6-10-16(14)18-12-11-17-20-19-13-21(17)15-8-3-2-4-9-15/h5-7,10,13,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyAOLCVLOTQPEAKG-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.75
Rot. Bonds5

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

N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline (PubChem CID 62711781) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline
PubChem CID62711781
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nncn1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-14-7-5-6-10-16(14)18-12-11-17-20-19-13-21(17)15-8-3-2-4-9-15/h5-7,10,13,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyAOLCVLOTQPEAKG-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-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 N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline (CID 62711781) is N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCc1nncn1C1CCCCC1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline?
The InChIKey is AOLCVLOTQPEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-7-5-6-10-16(14)18-12-11-17-20-19-13-21(17)15-8-3-2-4-9-15/h5-7,10,13,15,18H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline?
N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 62711781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).