3-(2-ethyltriazol-4-yl)piperidine

C9H16N4 — CID 10012528

IUPAC3-(2-ethyltriazol-4-yl)piperidine
SMILESCCn1ncc(C2CCCNC2)n1
InChIInChI=1S/C9H16N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyQXJUEWHLTZHJAR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds2

About 3-(2-ethyltriazol-4-yl)piperidine

3-(2-ethyltriazol-4-yl)piperidine (PubChem CID 10012528) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-ethyltriazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(2-ethyltriazol-4-yl)piperidine
PubChem CID10012528
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-(2-ethyltriazol-4-yl)piperidine
SMILESCCn1ncc(C2CCCNC2)n1
InChIInChI=1S/C9H16N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyQXJUEWHLTZHJAR-UHFFFAOYSA-N
XLogP0.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
2-(1-methyl-3-piperidin-3-ylpyrazol-5-yl)ethanol;dihydrochloride
CID 71298828
(7R)-7-methyl-2-[(3S)-piperidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462523
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
CID 105461143
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
(3S)-3-(1-ethylpyrrol-2-yl)piperidine
CID 125425376
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyltriazol-4-yl)piperidine?
The IUPAC name of 3-(2-ethyltriazol-4-yl)piperidine (CID 10012528) is 3-(2-ethyltriazol-4-yl)piperidine.
What is the SMILES notation for 3-(2-ethyltriazol-4-yl)piperidine?
The canonical SMILES for 3-(2-ethyltriazol-4-yl)piperidine is CCn1ncc(C2CCCNC2)n1.
What is the InChIKey of 3-(2-ethyltriazol-4-yl)piperidine?
The InChIKey is QXJUEWHLTZHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(2-ethyltriazol-4-yl)piperidine?
3-(2-ethyltriazol-4-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyltriazol-4-yl)piperidine is sourced from PubChem (CID 10012528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).