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

C12H12N4O3 — CID 162160713

IUPAC3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C12H12N4O3/c1-7-2-4-9-14-16(12(19)15(9)6-7)8-3-5-10(17)13-11(8)18/h2,4,6,8H,3,5H2,1H3,(H,13,17,18)
InChIKeyZMLBRMGMWDGKGF-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.22
Rot. Bonds1

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

3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 162160713) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID162160713
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1
InChIInChI=1S/C12H12N4O3/c1-7-2-4-9-14-16(12(19)15(9)6-7)8-3-5-10(17)13-11(8)18/h2,4,6,8H,3,5H2,1H3,(H,13,17,18)
InChIKeyZMLBRMGMWDGKGF-UHFFFAOYSA-N
XLogP-0.22
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(3-Oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 134414462
3-[3-Oxo-7-(1-piperazinyl)-1,2,4-triazolo[4,3-a]pyridin-2(3H)-yl]-2,6-piperidinedione
CID 134579987
3-{7-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CID 142596935
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
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-(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
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-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 162160713) is 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is Cc1ccc2nn(C3CCC(=O)NC3=O)c(=O)n2c1.
What is the InChIKey of 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is ZMLBRMGMWDGKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-2-4-9-14-16(12(19)15(9)6-7)8-3-5-10(17)13-11(8)18/h2,4,6,8H,3,5H2,1H3,(H,13,17,18).
What are the key properties of 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 162160713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).