4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride

C9H17ClN4O — CID 71756222

IUPAC4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCCn1c(C2CCNCC2)n[nH]c1=O.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,12,14);1H
InChIKeyIUKGAAZJCIHUOH-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.48
Rot. Bonds2

About 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride

4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (PubChem CID 71756222) has the molecular formula C9H17ClN4O and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
PubChem CID71756222
Molecular FormulaC9H17ClN4O
Molecular Weight232.71 g/mol
Exact Mass232.11
IUPAC Name4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCCn1c(C2CCNCC2)n[nH]c1=O.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,12,14);1H
InChIKeyIUKGAAZJCIHUOH-UHFFFAOYSA-N
XLogP0.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (CID 71756222) is 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is CCn1c(C2CCNCC2)n[nH]c1=O.Cl.
What is the InChIKey of 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is IUKGAAZJCIHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.ClH/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,12,14);1H.
What are the key properties of 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 71756222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).