2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H17N7O — CID 17491036

IUPAC2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCN(c3cnccn3)CC2)nc2ccccn12
InChIInChI=1S/C15H17N7O/c23-15-21-6-2-1-3-13(21)18-22(15)12-19-7-9-20(10-8-19)14-11-16-4-5-17-14/h1-6,11H,7-10,12H2
InChIKeyVDLZIVNEJUOKIF-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.07
Rot. Bonds3

About 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17491036) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17491036
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCN(c3cnccn3)CC2)nc2ccccn12
InChIInChI=1S/C15H17N7O/c23-15-21-6-2-1-3-13(21)18-22(15)12-19-7-9-20(10-8-19)14-11-16-4-5-17-14/h1-6,11H,7-10,12H2
InChIKeyVDLZIVNEJUOKIF-UHFFFAOYSA-N
XLogP0.07
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42888788
2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 18132995
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42926991
2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 51300575
1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 42929839
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
CID 163350513
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117
2-[(3-chloro-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618625
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17491036) is 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CN2CCN(c3cnccn3)CC2)nc2ccccn12.
What is the InChIKey of 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VDLZIVNEJUOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15-21-6-2-1-3-13(21)18-22(15)12-19-7-9-20(10-8-19)14-11-16-4-5-17-14/h1-6,11H,7-10,12H2.
What are the key properties of 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 311.35 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17491036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).