4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine

C9H16N4 — CID 53192491

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUQXGXVADESAMLD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.83
Rot. Bonds2

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine

4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192491) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192491
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUQXGXVADESAMLD-UHFFFAOYSA-N
XLogP0.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
CID 47003211
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 75531131
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(2-methylprop-2-enyl)piperidine
CID 53605242
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
Guanidine, N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N''-cyano-N'-methyl-
CID 1553362
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 47003210

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192491) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is CCc1nc(C2CCNCC2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UQXGXVADESAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).