2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H15N3O2 — CID 79569469

IUPAC2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1CCCC1CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c17-11-5-3-4-10(11)7-9-16-13(18)15-8-2-1-6-12(15)14-16/h1-2,6,8,10H,3-5,7,9H2
InChIKeyXBKLVGQTXREVKL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.26
Rot. Bonds3

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

2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 79569469) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID79569469
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1CCCC1CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c17-11-5-3-4-10(11)7-9-16-13(18)15-8-2-1-6-12(15)14-16/h1-2,6,8,10H,3-5,7,9H2
InChIKeyXBKLVGQTXREVKL-UHFFFAOYSA-N
XLogP1.26
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 79569469) is 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C1CCCC1CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XBKLVGQTXREVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-5-3-4-10(11)7-9-16-13(18)15-8-2-1-6-12(15)14-16/h1-2,6,8,10H,3-5,7,9H2.
What are the key properties of 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 79569469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).