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

C9H16N4 — CID 84768245

IUPAC3-(5-ethyl-2H-triazol-4-yl)piperidine
SMILESCCc1n[nH]nc1C1CCCNC1
InChIInChI=1S/C9H16N4/c1-2-8-9(12-13-11-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyGQOVPXAXRVVDKL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.83
Rot. Bonds2

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

3-(5-ethyl-2H-triazol-4-yl)piperidine (PubChem CID 84768245) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(5-ethyl-2H-triazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(5-ethyl-2H-triazol-4-yl)piperidine
PubChem CID84768245
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-(5-ethyl-2H-triazol-4-yl)piperidine
SMILESCCc1n[nH]nc1C1CCCNC1
InChIInChI=1S/C9H16N4/c1-2-8-9(12-13-11-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyGQOVPXAXRVVDKL-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

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Related Compounds

4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
CID 83849709
5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
CID 83839530
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole
CID 83849440
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
5-bromo-4-piperidin-3-ylthiadiazole
CID 84706462
3-(2H-tetrazol-5-yl)piperidine
CID 10374637
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2H-triazol-4-yl)piperidine?
The IUPAC name of 3-(5-ethyl-2H-triazol-4-yl)piperidine (CID 84768245) is 3-(5-ethyl-2H-triazol-4-yl)piperidine.
What is the SMILES notation for 3-(5-ethyl-2H-triazol-4-yl)piperidine?
The canonical SMILES for 3-(5-ethyl-2H-triazol-4-yl)piperidine is CCc1n[nH]nc1C1CCCNC1.
What is the InChIKey of 3-(5-ethyl-2H-triazol-4-yl)piperidine?
The InChIKey is GQOVPXAXRVVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-9(12-13-11-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 3-(5-ethyl-2H-triazol-4-yl)piperidine?
3-(5-ethyl-2H-triazol-4-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 3-(5-ethyl-2H-triazol-4-yl)piperidine is sourced from PubChem (CID 84768245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).