3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

C12H12N4O2 — CID 170177680

IUPAC3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccccc3N=N2)C(=O)N1
InChIInChI=1S/C12H12N4O2/c17-11-6-5-10(12(18)13-11)16-7-8-3-1-2-4-9(8)14-15-16/h1-4,10H,5-7H2,(H,13,17,18)
InChIKeyUVZAYDFLHHWUFI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.31
Rot. Bonds1

About 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (PubChem CID 170177680) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
PubChem CID170177680
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccccc3N=N2)C(=O)N1
InChIInChI=1S/C12H12N4O2/c17-11-6-5-10(12(18)13-11)16-7-8-3-1-2-4-9(8)14-15-16/h1-4,10H,5-7H2,(H,13,17,18)
InChIKeyUVZAYDFLHHWUFI-UHFFFAOYSA-N
XLogP1.31
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10125318
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318

Frequently Asked Questions

What is the IUPAC name of 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (CID 170177680) is 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3ccccc3N=N2)C(=O)N1.
What is the InChIKey of 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The InChIKey is UVZAYDFLHHWUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-11-6-5-10(12(18)13-11)16-7-8-3-1-2-4-9(8)14-15-16/h1-4,10H,5-7H2,(H,13,17,18).
What are the key properties of 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione has a molecular weight of 244.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 170177680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).