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

C13H19N5O — CID 104975319

IUPAC2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1CN(CCn2nc3ccccn3c2=O)CCN1
InChIInChI=1S/C13H19N5O/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/t11-/m1/s1
InChIKeyKFQKXMQIXBOJRE-LLVKDONJSA-N
MW261.33 g/mol
LogP-0.21
Rot. Bonds3

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

2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 104975319) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID104975319
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1CN(CCn2nc3ccccn3c2=O)CCN1
InChIInChI=1S/C13H19N5O/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/t11-/m1/s1
InChIKeyKFQKXMQIXBOJRE-LLVKDONJSA-N
XLogP-0.21
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119924408
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119925000
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 82713574
2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 81497209
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120572077
2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42929876
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 92854308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 104975319) is 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[C@@H]1CN(CCn2nc3ccccn3c2=O)CCN1.
What is the InChIKey of 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KFQKXMQIXBOJRE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O/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/t11-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 261.33 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-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 104975319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).