4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine

C9H16N4 — CID 62216884

IUPAC4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine
SMILESc1n[nH]c(CCC2CCNCC2)n1
InChIInChI=1S/C9H16N4/c1(2-9-11-7-12-13-9)8-3-5-10-6-4-8/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyRWMGAHIYNNJFLF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.74
Rot. Bonds3

About 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine

4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine (PubChem CID 62216884) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine
PubChem CID62216884
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine
SMILESc1n[nH]c(CCC2CCNCC2)n1
InChIInChI=1S/C9H16N4/c1(2-9-11-7-12-13-9)8-3-5-10-6-4-8/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyRWMGAHIYNNJFLF-UHFFFAOYSA-N
XLogP0.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine 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 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine (CID 62216884) is 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine is c1n[nH]c(CCC2CCNCC2)n1.
What is the InChIKey of 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The InChIKey is RWMGAHIYNNJFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1(2-9-11-7-12-13-9)8-3-5-10-6-4-8/h7-8,10H,1-6H2,(H,11,12,13).
What are the key properties of 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine?
4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 62216884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).