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

C11H9BrN4O3 — CID 142597127

IUPAC3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccc(Br)cn3c2=O)C(=O)N1
InChIInChI=1S/C11H9BrN4O3/c12-6-1-3-8-14-16(11(19)15(8)5-6)7-2-4-9(17)13-10(7)18/h1,3,5,7H,2,4H2,(H,13,17,18)
InChIKeyUNIQKLIVVOSPDT-UHFFFAOYSA-N
MW325.12 g/mol
LogP0.24
Rot. Bonds1

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

3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 142597127) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID142597127
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccc(Br)cn3c2=O)C(=O)N1
InChIInChI=1S/C11H9BrN4O3/c12-6-1-3-8-14-16(11(19)15(8)5-6)7-2-4-9(17)13-10(7)18/h1,3,5,7H,2,4H2,(H,13,17,18)
InChIKeyUNIQKLIVVOSPDT-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-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
CID 95275092
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-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 146183954
N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-(1-methyl-2-pyridinylidene)amino]formamide
CID 154671440
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
3-[8-[Bromo(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]piperidine-2,6-dione
CID 175633506
3-(7-Isocyano-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 176640416
3-(3-Oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157792

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 142597127) is 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is O=C1CCC(n2nc3ccc(Br)cn3c2=O)C(=O)N1.
What is the InChIKey of 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is UNIQKLIVVOSPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c12-6-1-3-8-14-16(11(19)15(8)5-6)7-2-4-9(17)13-10(7)18/h1,3,5,7H,2,4H2,(H,13,17,18).
What are the key properties of 3-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(6-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-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 142597127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).