3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane

C16H22N4O3 — CID 177157823

IUPAC3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane
SMILESCCC.CCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C13H14N4O3.C3H8/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19;1-3-2/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19);3H2,1-2H3
InChIKeyJGTBQKMFMPLEDQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.45
Rot. Bonds2

About 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane

3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane (PubChem CID 177157823) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane.

Molecular Properties

Compound Name3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane
PubChem CID177157823
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane
SMILESCCC.CCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C13H14N4O3.C3H8/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19;1-3-2/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19);3H2,1-2H3
InChIKeyJGTBQKMFMPLEDQ-UHFFFAOYSA-N
XLogP1.45
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane?
The IUPAC name of 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane (CID 177157823) is 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane.
What is the SMILES notation for 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane?
The canonical SMILES for 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane is CCC.CCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1.
What is the InChIKey of 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane?
The InChIKey is JGTBQKMFMPLEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3.C3H8/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19;1-3-2/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19);3H2,1-2H3.
What are the key properties of 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane?
3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane has a molecular weight of 318.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane is sourced from PubChem (CID 177157823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).