3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

C9H17ClN4 — CID 141381721

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCCn1cnnc1C1CCCNC1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;/h7-8,10H,2-6H2,1H3;1H
InChIKeySOZBFTUACIOIOR-UHFFFAOYSA-N
MW216.72 g/mol
LogP1.19
Rot. Bonds2

About 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (PubChem CID 141381721) has the molecular formula C9H17ClN4 and a molecular weight of 216.72 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
PubChem CID141381721
Molecular FormulaC9H17ClN4
Molecular Weight216.72 g/mol
Exact Mass216.11
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCCn1cnnc1C1CCCNC1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;/h7-8,10H,2-6H2,1H3;1H
InChIKeySOZBFTUACIOIOR-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
3-(piperidin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 16227574
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
3-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 75531131
4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 165871877
N-(3-methoxypropyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53521953

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (CID 141381721) is 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is CCn1cnnc1C1CCCNC1.Cl.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The InChIKey is SOZBFTUACIOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;/h7-8,10H,2-6H2,1H3;1H.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride has a molecular weight of 216.72 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 141381721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).