2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H17N5O2 — CID 62543101

IUPAC2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CCn1nc2ccccn2c1=O)N1CCNCC1
InChIInChI=1S/C13H17N5O2/c19-12(16-9-5-14-6-10-16)4-8-18-13(20)17-7-2-1-3-11(17)15-18/h1-3,7,14H,4-6,8-10H2
InChIKeyRFUDRGQJKNEDMA-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.68
Rot. Bonds3

About 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62543101) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62543101
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CCn1nc2ccccn2c1=O)N1CCNCC1
InChIInChI=1S/C13H17N5O2/c19-12(16-9-5-14-6-10-16)4-8-18-13(20)17-7-2-1-3-11(17)15-18/h1-3,7,14H,4-6,8-10H2
InChIKeyRFUDRGQJKNEDMA-UHFFFAOYSA-N
XLogP-0.68
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120739303
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 119487995
2-[3-oxo-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95765291
2-[3-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86937491
(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 96517051
2-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 82713574
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78942123
2-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119921121
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62543101) is 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(CCn1nc2ccccn2c1=O)N1CCNCC1.
What is the InChIKey of 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RFUDRGQJKNEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-12(16-9-5-14-6-10-16)4-8-18-13(20)17-7-2-1-3-11(17)15-18/h1-3,7,14H,4-6,8-10H2.
What are the key properties of 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 275.31 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62543101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).