5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium

C16H18N2O2 — CID 12720239

IUPAC5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium
SMILESCC1(C)OC(C)(C)c2c1ncc(-c1ccccc1)[n+]2[O-]
InChIInChI=1S/C16H18N2O2/c1-15(2)13-14(16(3,4)20-15)18(19)12(10-17-13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyXCUAOWZLMIPZKU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds1

About 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium

5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium (PubChem CID 12720239) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium
PubChem CID12720239
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium
SMILESCC1(C)OC(C)(C)c2c1ncc(-c1ccccc1)[n+]2[O-]
InChIInChI=1S/C16H18N2O2/c1-15(2)13-14(16(3,4)20-15)18(19)12(10-17-13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyXCUAOWZLMIPZKU-UHFFFAOYSA-N
XLogP2.88
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium?
The IUPAC name of 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium (CID 12720239) is 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium.
What is the SMILES notation for 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium?
The canonical SMILES for 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium is CC1(C)OC(C)(C)c2c1ncc(-c1ccccc1)[n+]2[O-].
What is the InChIKey of 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium?
The InChIKey is XCUAOWZLMIPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-15(2)13-14(16(3,4)20-15)18(19)12(10-17-13)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium?
5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium has a molecular weight of 270.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-4-oxido-3-phenylfuro[3,4-b]pyrazin-4-ium is sourced from PubChem (CID 12720239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).