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

C14H19ClN4O — CID 24950022

IUPAC4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]nc(C2CCNCC2)n1Cc1ccccc1
InChIInChI=1S/C14H18N4O.ClH/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,17,19);1H
InChIKeyZEACZDWUZUSUQB-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.51
Rot. Bonds3

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

4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (PubChem CID 24950022) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
PubChem CID24950022
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]nc(C2CCNCC2)n1Cc1ccccc1
InChIInChI=1S/C14H18N4O.ClH/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,17,19);1H
InChIKeyZEACZDWUZUSUQB-UHFFFAOYSA-N
XLogP1.51
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (CID 24950022) is 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is Cl.O=c1[nH]nc(C2CCNCC2)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is ZEACZDWUZUSUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11;/h1-5,12,15H,6-10H2,(H,17,19);1H.
What are the key properties of 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 24950022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).