sulfuric acid;2,3,5,6-tetramethylpyrazine

C8H14N2O4S — CID 173199020

IUPACsulfuric acid;2,3,5,6-tetramethylpyrazine
SMILESCc1nc(C)c(C)nc1C.O=S(=O)(O)O
InChIInChI=1S/C8H12N2.H2O4S/c1-5-6(2)10-8(4)7(3)9-5;1-5(2,3)4/h1-4H3;(H2,1,2,3,4)
InChIKeyKALXRPDOZLFOGV-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.06
Rot. Bonds

About sulfuric acid;2,3,5,6-tetramethylpyrazine

sulfuric acid;2,3,5,6-tetramethylpyrazine (PubChem CID 173199020) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is sulfuric acid;2,3,5,6-tetramethylpyrazine.

Molecular Properties

Compound Namesulfuric acid;2,3,5,6-tetramethylpyrazine
PubChem CID173199020
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Namesulfuric acid;2,3,5,6-tetramethylpyrazine
SMILESCc1nc(C)c(C)nc1C.O=S(=O)(O)O
InChIInChI=1S/C8H12N2.H2O4S/c1-5-6(2)10-8(4)7(3)9-5;1-5(2,3)4/h1-4H3;(H2,1,2,3,4)
InChIKeyKALXRPDOZLFOGV-UHFFFAOYSA-N
XLogP1.06
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;2,3,5,6-tetramethylpyrazine?
The IUPAC name of sulfuric acid;2,3,5,6-tetramethylpyrazine (CID 173199020) is sulfuric acid;2,3,5,6-tetramethylpyrazine.
What is the SMILES notation for sulfuric acid;2,3,5,6-tetramethylpyrazine?
The canonical SMILES for sulfuric acid;2,3,5,6-tetramethylpyrazine is Cc1nc(C)c(C)nc1C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2,3,5,6-tetramethylpyrazine?
The InChIKey is KALXRPDOZLFOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.H2O4S/c1-5-6(2)10-8(4)7(3)9-5;1-5(2,3)4/h1-4H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;2,3,5,6-tetramethylpyrazine?
sulfuric acid;2,3,5,6-tetramethylpyrazine has a molecular weight of 234.28 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2,3,5,6-tetramethylpyrazine is sourced from PubChem (CID 173199020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).