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

C13H14N4O3 — CID 177157824

IUPAC3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C13H14N4O3/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19)
InChIKeyBHANQQOHIKQYLM-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.04
Rot. Bonds2

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

3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 177157824) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 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.

Molecular Properties

Compound Name3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID177157824
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C13H14N4O3/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19)
InChIKeyBHANQQOHIKQYLM-UHFFFAOYSA-N
XLogP0.04
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.04
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?
The IUPAC name of 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 177157824) is 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
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?
The canonical SMILES for 3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is 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?
The InChIKey is BHANQQOHIKQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-8-3-5-10-15-17(13(20)16(10)7-8)9-4-6-11(18)14-12(9)19/h3,5,7,9H,2,4,6H2,1H3,(H,14,18,19).
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?
3-(6-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 274.28 g/mol, XLogP of 0.04, 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 is sourced from PubChem (CID 177157824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).