3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione

C13H12N4O3 — CID 171801888

IUPAC3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
SMILESCc1cccc2c1c(=O)nnn2C1CCC(=O)NC1=O
InChIInChI=1S/C13H12N4O3/c1-7-3-2-4-8-11(7)13(20)15-16-17(8)9-5-6-10(18)14-12(9)19/h2-4,9H,5-6H2,1H3,(H,14,18,19)
InChIKeyUGWJNUIMLRHGFK-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.08
Rot. Bonds1

About 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione

3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione (PubChem CID 171801888) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
PubChem CID171801888
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
SMILESCc1cccc2c1c(=O)nnn2C1CCC(=O)NC1=O
InChIInChI=1S/C13H12N4O3/c1-7-3-2-4-8-11(7)13(20)15-16-17(8)9-5-6-10(18)14-12(9)19/h2-4,9H,5-6H2,1H3,(H,14,18,19)
InChIKeyUGWJNUIMLRHGFK-UHFFFAOYSA-N
XLogP0.08
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504418
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 129173983

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione (CID 171801888) is 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione is Cc1cccc2c1c(=O)nnn2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione?
The InChIKey is UGWJNUIMLRHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-7-3-2-4-8-11(7)13(20)15-16-17(8)9-5-6-10(18)14-12(9)19/h2-4,9H,5-6H2,1H3,(H,14,18,19).
What are the key properties of 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione?
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione has a molecular weight of 272.26 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 171801888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).