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

C14H16N4O3 — CID 177157792

IUPAC3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C14H16N4O3/c1-8(2)9-3-5-11-16-18(14(21)17(11)7-9)10-4-6-12(19)15-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,19,20)
InChIKeyDEKLVKZCQWMZJO-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.60
Rot. Bonds2

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

3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 177157792) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID177157792
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C14H16N4O3/c1-8(2)9-3-5-11-16-18(14(21)17(11)7-9)10-4-6-12(19)15-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,19,20)
InChIKeyDEKLVKZCQWMZJO-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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Related Compounds

3-{6-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CID 142597127
3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 146183954
Tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperidine-1-carboxylate
CID 146606458
N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 156820687
3-(8-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 160187690
3-(6-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 162160713
3-(7-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 162180098
7-Methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164955181
6-Methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 164957149
6-Methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164957150
Methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167667996
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 172277126

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 177157792) is 3-(3-oxo-6-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-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is CC(C)c1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1.
What is the InChIKey of 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is DEKLVKZCQWMZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8(2)9-3-5-11-16-18(14(21)17(11)7-9)10-4-6-12(19)15-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,19,20).
What are the key properties of 3-(3-oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(3-oxo-6-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-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 177157792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).