2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium

C8H14N2O2 — CID 1268200

IUPAC2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium
SMILESCC1(C)C=[N+]([O-])C(C)(C)C=[N+]1[O-]
InChIInChI=1S/C8H14N2O2/c1-7(2)5-10(12)8(3,4)6-9(7)11/h5-6H,1-4H3
InChIKeyQZKSMEBNJMADOQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds

About 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium

2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium (PubChem CID 1268200) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium
PubChem CID1268200
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium
SMILESCC1(C)C=[N+]([O-])C(C)(C)C=[N+]1[O-]
InChIInChI=1S/C8H14N2O2/c1-7(2)5-10(12)8(3,4)6-9(7)11/h5-6H,1-4H3
InChIKeyQZKSMEBNJMADOQ-UHFFFAOYSA-N
XLogP0.72
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12514693
CID 12514693
CID 140618790
CID 140618790
CID 12555481
CID 12555481
CID 129828534
CID 129828534
CID 129879128
CID 129879128
CID 69923067
CID 69923067
CID 88537610
CID 88537610
CID 136481034
CID 136481034
CID 140618793
CID 140618793
CID 164540095
CID 164540095
CID 164734925
CID 164734925
CID 10012020
CID 10012020

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium?
The IUPAC name of 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium (CID 1268200) is 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium?
The canonical SMILES for 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium is CC1(C)C=[N+]([O-])C(C)(C)C=[N+]1[O-].
What is the InChIKey of 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium?
The InChIKey is QZKSMEBNJMADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(2)5-10(12)8(3,4)6-9(7)11/h5-6H,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium?
2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium has a molecular weight of 170.21 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,4-dioxidopyrazine-1,4-diium is sourced from PubChem (CID 1268200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).