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

C11H9BrN4O3 — CID 142596935

IUPAC3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3cc(Br)ccn3c2=O)C(=O)N1
InChIInChI=1S/C11H9BrN4O3/c12-6-3-4-15-8(5-6)14-16(11(15)19)7-1-2-9(17)13-10(7)18/h3-5,7H,1-2H2,(H,13,17,18)
InChIKeyYZEKNZCKZORYJR-UHFFFAOYSA-N
MW325.12 g/mol
LogP0.24
Rot. Bonds1

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

3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 142596935) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID142596935
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3cc(Br)ccn3c2=O)C(=O)N1
InChIInChI=1S/C11H9BrN4O3/c12-6-3-4-15-8(5-6)14-16(11(15)19)7-1-2-9(17)13-10(7)18/h3-5,7H,1-2H2,(H,13,17,18)
InChIKeyYZEKNZCKZORYJR-UHFFFAOYSA-N
XLogP0.24
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-(5-iodopentoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]piperidine-2,6-dione
CID 146173226
3-(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)piperidine-2,6-dione
CID 142409714
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
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273255
3-[4-methyl-3-(3-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273161
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 158264792

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 142596935) is 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is O=C1CCC(n2nc3cc(Br)ccn3c2=O)C(=O)N1.
What is the InChIKey of 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is YZEKNZCKZORYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c12-6-3-4-15-8(5-6)14-16(11(15)19)7-1-2-9(17)13-10(7)18/h3-5,7H,1-2H2,(H,13,17,18).
What are the key properties of 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 325.12 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 142596935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).