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

C10H19ClN4O — CID 137245282

IUPAC2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride
SMILESCC(C)c1nn(C2CCNCC2)c(=O)[nH]1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-7(2)9-12-10(15)14(13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13,15);1H
InChIKeyCYWQAVDCQAPWGI-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.04
Rot. Bonds2

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

2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride (PubChem CID 137245282) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride
PubChem CID137245282
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride
SMILESCC(C)c1nn(C2CCNCC2)c(=O)[nH]1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-7(2)9-12-10(15)14(13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13,15);1H
InChIKeyCYWQAVDCQAPWGI-UHFFFAOYSA-N
XLogP1.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride (CID 137245282) is 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride is CC(C)c1nn(C2CCNCC2)c(=O)[nH]1.Cl.
What is the InChIKey of 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The InChIKey is CYWQAVDCQAPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-7(2)9-12-10(15)14(13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13,15);1H.
What are the key properties of 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride?
2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one;hydrochloride is sourced from PubChem (CID 137245282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).