pyrazine-2,5-disulfonic acid

C4H4N2O6S2 — CID 88797746

IUPACpyrazine-2,5-disulfonic acid
SMILESO=S(=O)(O)c1cnc(S(=O)(=O)O)cn1
InChIInChI=1S/C4H4N2O6S2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H,7,8,9)(H,10,11,12)
InChIKeyHNKMVSKPWSOEAN-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.03
Rot. Bonds2

About pyrazine-2,5-disulfonic acid

pyrazine-2,5-disulfonic acid (PubChem CID 88797746) has the molecular formula C4H4N2O6S2 and a molecular weight of 240.22 g/mol. Its IUPAC name is pyrazine-2,5-disulfonic acid.

Molecular Properties

Compound Namepyrazine-2,5-disulfonic acid
PubChem CID88797746
Molecular FormulaC4H4N2O6S2
Molecular Weight240.22 g/mol
Exact Mass239.95
IUPAC Namepyrazine-2,5-disulfonic acid
SMILESO=S(=O)(O)c1cnc(S(=O)(=O)O)cn1
InChIInChI=1S/C4H4N2O6S2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H,7,8,9)(H,10,11,12)
InChIKeyHNKMVSKPWSOEAN-UHFFFAOYSA-N
XLogP-1.03
TPSA134.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

pyrazine-2,3,5-trisulfonic acid
CID 142696682
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
quinoxaline-2-sulfonic acid;hydrochloride
CID 174889444
2-sulfanylidene-1H-pteridine-7-sulfonic acid
CID 71350518
pyridine-2,3,4,5-tetrasulfonic acid
CID 19377942
sodium;4-cyanopyridine-2-sulfonic acid;hydride
CID 173157024
potassium;6-chloropyridine-2-sulfonic acid;hydride
CID 173343917
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
sodium;6-chloropyridine-2-sulfonic acid;hydride
CID 173343828
4-tert-butylpyridine-2-sulfonic acid
CID 10656321
2-amino-1,3-thiazole-5-sulfonic acid
CID 2829719
6-pyridin-2-ylpyridine-2-sulfonic acid
CID 15219955

Frequently Asked Questions

What is the IUPAC name of pyrazine-2,5-disulfonic acid?
The IUPAC name of pyrazine-2,5-disulfonic acid (CID 88797746) is pyrazine-2,5-disulfonic acid.
What is the SMILES notation for pyrazine-2,5-disulfonic acid?
The canonical SMILES for pyrazine-2,5-disulfonic acid is O=S(=O)(O)c1cnc(S(=O)(=O)O)cn1.
What is the InChIKey of pyrazine-2,5-disulfonic acid?
The InChIKey is HNKMVSKPWSOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O6S2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H,7,8,9)(H,10,11,12).
What are the key properties of pyrazine-2,5-disulfonic acid?
pyrazine-2,5-disulfonic acid has a molecular weight of 240.22 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2,5-disulfonic acid is sourced from PubChem (CID 88797746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).