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

C9H17ClN4 — CID 71758195

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCCc1nc(C2CCNCC2)n[nH]1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H
InChIKeyGZFAYYGIKACKKF-UHFFFAOYSA-N
MW216.72 g/mol
LogP1.26
Rot. Bonds2

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

4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride (PubChem CID 71758195) has the molecular formula C9H17ClN4 and a molecular weight of 216.72 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride
PubChem CID71758195
Molecular FormulaC9H17ClN4
Molecular Weight216.72 g/mol
Exact Mass216.11
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCCc1nc(C2CCNCC2)n[nH]1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H
InChIKeyGZFAYYGIKACKKF-UHFFFAOYSA-N
XLogP1.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride (CID 71758195) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride is CCc1nc(C2CCNCC2)n[nH]1.Cl.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The InChIKey is GZFAYYGIKACKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.ClH/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H.
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride has a molecular weight of 216.72 g/mol, XLogP of 1.26, 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;hydrochloride is sourced from PubChem (CID 71758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).