3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C14H16N4O3 — CID 177157753

IUPAC3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2nn(C3CCC(=O)NC3=O)c(=O)n12
InChIInChI=1S/C14H16N4O3/c1-8(2)9-4-3-5-11-16-18(14(21)17(9)11)10-6-7-12(19)15-13(10)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,19,20)
InChIKeyGPTOBBNAZBTJBR-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.60
Rot. Bonds2

About 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 177157753) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID177157753
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2nn(C3CCC(=O)NC3=O)c(=O)n12
InChIInChI=1S/C14H16N4O3/c1-8(2)9-4-3-5-11-16-18(14(21)17(9)11)10-6-7-12(19)15-13(10)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,19,20)
InChIKeyGPTOBBNAZBTJBR-UHFFFAOYSA-N
XLogP0.60
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.60
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-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 177157753) is 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is CC(C)c1cccc2nn(C3CCC(=O)NC3=O)c(=O)n12.
What is the InChIKey of 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is GPTOBBNAZBTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8(2)9-4-3-5-11-16-18(14(21)17(9)11)10-6-7-12(19)15-13(10)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,19,20).
What are the key properties of 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 288.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 177157753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).