2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

C13H20ClN5O — CID 119924408

IUPAC2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCC1CN(CCn2nc3ccccn3c2=O)CCN1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-11-10-16(7-5-14-11)8-9-18-13(19)17-6-3-2-4-12(17)15-18;/h2-4,6,11,14H,5,7-10H2,1H3;1H
InChIKeyNXAAPZOQBSGKFZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.21
Rot. Bonds3

About 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 119924408) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID119924408
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCC1CN(CCn2nc3ccccn3c2=O)CCN1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-11-10-16(7-5-14-11)8-9-18-13(19)17-6-3-2-4-12(17)15-18;/h2-4,6,11,14H,5,7-10H2,1H3;1H
InChIKeyNXAAPZOQBSGKFZ-UHFFFAOYSA-N
XLogP0.21
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride with MolForge

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 42954916
N,N-dimethyl-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazine-1-carboxamide
CID 45818016
1-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(3-Oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812006
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812007
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812836
2-Ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494319
2-Piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 84038333
6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134414454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 119924408) is 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is CC1CN(CCn2nc3ccccn3c2=O)CCN1.Cl.
What is the InChIKey of 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is NXAAPZOQBSGKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-11-10-16(7-5-14-11)8-9-18-13(19)17-6-3-2-4-12(17)15-18;/h2-4,6,11,14H,5,7-10H2,1H3;1H.
What are the key properties of 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 119924408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).