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

C15H18N6O3 — CID 134414462

IUPAC3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccc(N4CCNCC4)cn3c2=O)C(=O)N1
InChIInChI=1S/C15H18N6O3/c22-13-4-2-11(14(23)17-13)21-15(24)20-9-10(1-3-12(20)18-21)19-7-5-16-6-8-19/h1,3,9,11,16H,2,4-8H2,(H,17,22,23)
InChIKeyAXTUHZOZILLCIM-UHFFFAOYSA-N
MW330.35 g/mol
LogP-1.12
Rot. Bonds2

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

3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 134414462) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID134414462
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccc(N4CCNCC4)cn3c2=O)C(=O)N1
InChIInChI=1S/C15H18N6O3/c22-13-4-2-11(14(23)17-13)21-15(24)20-9-10(1-3-12(20)18-21)19-7-5-16-6-8-19/h1,3,9,11,16H,2,4-8H2,(H,17,22,23)
InChIKeyAXTUHZOZILLCIM-UHFFFAOYSA-N
XLogP-1.12
TPSA100.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 134414462) is 3-(3-oxo-6-piperazin-1-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-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is O=C1CCC(n2nc3ccc(N4CCNCC4)cn3c2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is AXTUHZOZILLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c22-13-4-2-11(14(23)17-13)21-15(24)20-9-10(1-3-12(20)18-21)19-7-5-16-6-8-19/h1,3,9,11,16H,2,4-8H2,(H,17,22,23).
What are the key properties of 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 330.35 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 134414462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).