2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium

C8H12N2O — CID 3764616

IUPAC2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium
SMILESCc1nc(C)c(C)[n+]([O-])c1C
InChIInChI=1S/C8H12N2O/c1-5-7(3)10(11)8(4)6(2)9-5/h1-4H3
InChIKeyMRKOVWZAVHJNPG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds

About 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium

2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium (PubChem CID 3764616) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium
PubChem CID3764616
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium
SMILESCc1nc(C)c(C)[n+]([O-])c1C
InChIInChI=1S/C8H12N2O/c1-5-7(3)10(11)8(4)6(2)9-5/h1-4H3
InChIKeyMRKOVWZAVHJNPG-UHFFFAOYSA-N
XLogP0.95
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetramethyl-1-oxidopyrazin-1-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 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium?
The IUPAC name of 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium (CID 3764616) is 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium.
What is the SMILES notation for 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium?
The canonical SMILES for 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium is Cc1nc(C)c(C)[n+]([O-])c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium?
The InChIKey is MRKOVWZAVHJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-7(3)10(11)8(4)6(2)9-5/h1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium?
2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium has a molecular weight of 152.20 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-1-oxidopyrazin-1-ium is sourced from PubChem (CID 3764616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).