5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium

C9H6N4O2 — CID 12745684

IUPAC5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
SMILESCc1cccc2nc3no[n+]([O-])c3nc12
InChIInChI=1S/C9H6N4O2/c1-5-3-2-4-6-7(5)11-9-8(10-6)12-15-13(9)14/h2-4H,1H3
InChIKeyABRCRRNHBKAXCS-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.71
Rot. Bonds

About 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium

5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium (PubChem CID 12745684) has the molecular formula C9H6N4O2 and a molecular weight of 202.17 g/mol. Its IUPAC name is 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium.

Molecular Properties

Compound Name5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
PubChem CID12745684
Molecular FormulaC9H6N4O2
Molecular Weight202.17 g/mol
Exact Mass202.05
IUPAC Name5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
SMILESCc1cccc2nc3no[n+]([O-])c3nc12
InChIInChI=1S/C9H6N4O2/c1-5-3-2-4-6-7(5)11-9-8(10-6)12-15-13(9)14/h2-4H,1H3
InChIKeyABRCRRNHBKAXCS-UHFFFAOYSA-N
XLogP0.71
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium 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

9-Nitro-6H-indolo(2,3-b)quinoxaline
CID 5357493
4-Methyl-2-(2-nitrophenyl)-benzimidazole
CID 11218984
1,3-dimethyl-2-(3-nitrophenyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2867198
2-Nitro-8-methylpyrido[1,2-a]benzimidazole
CID 852506
2-(3,5-Dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
CID 1423235
1,3-Dimethyl-2-(2-nitro-phenyl)-3H-benzoimidazol-1-ium
CID 16681806
1-methyl-2-(2-nitrophenyl)-1H-benzimidazole
CID 939918
3-Nitrobenzimidazolo[1,2-a]quinoline
CID 57395426
2-(1H-benzimidazol-2-yl)-8-nitroquinoline
CID 137652400
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599208
1-(2-methylpropyl)-8-nitro-1H-imidazo[4,5-c]quinolin-4-amine
CID 11449001
4-Methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 57403308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium?
The IUPAC name of 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium (CID 12745684) is 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium.
What is the SMILES notation for 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium?
The canonical SMILES for 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium is Cc1cccc2nc3no[n+]([O-])c3nc12.
What is the InChIKey of 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium?
The InChIKey is ABRCRRNHBKAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2/c1-5-3-2-4-6-7(5)11-9-8(10-6)12-15-13(9)14/h2-4H,1H3.
What are the key properties of 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium?
5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium has a molecular weight of 202.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium is sourced from PubChem (CID 12745684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).