3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C12H12N4O3 — CID 162180098

IUPAC3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C12H12N4O3/c1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h4-6,8H,2-3H2,1H3,(H,13,17,18)
InChIKeyZOXDVQKAGLLKLS-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.22
Rot. Bonds1

About 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 162180098) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID162180098
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C12H12N4O3/c1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h4-6,8H,2-3H2,1H3,(H,13,17,18)
InChIKeyZOXDVQKAGLLKLS-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 162180098) is 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is Cc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1.
What is the InChIKey of 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is ZOXDVQKAGLLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h4-6,8H,2-3H2,1H3,(H,13,17,18).
What are the key properties of 3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(7-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-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 162180098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).