imidazo[4,5-b]pyrazine-3-sulfinate

C5H3N4O2S- — CID 171581840

IUPACimidazo[4,5-b]pyrazine-3-sulfinate
SMILESO=S([O-])n1cnc2nccnc21
InChIInChI=1S/C5H4N4O2S/c10-12(11)9-3-8-4-5(9)7-2-1-6-4/h1-3H,(H,10,11)/p-1
InChIKeyBQCCOQMEYBBVRC-UHFFFAOYSA-M
MW183.17 g/mol
LogP-0.53
Rot. Bonds1

About imidazo[4,5-b]pyrazine-3-sulfinate

imidazo[4,5-b]pyrazine-3-sulfinate (PubChem CID 171581840) has the molecular formula C5H3N4O2S- and a molecular weight of 183.17 g/mol. Its IUPAC name is imidazo[4,5-b]pyrazine-3-sulfinate.

Molecular Properties

Compound Nameimidazo[4,5-b]pyrazine-3-sulfinate
PubChem CID171581840
Molecular FormulaC5H3N4O2S-
Molecular Weight183.17 g/mol
Exact Mass183.00
IUPAC Nameimidazo[4,5-b]pyrazine-3-sulfinate
SMILESO=S([O-])n1cnc2nccnc21
InChIInChI=1S/C5H4N4O2S/c10-12(11)9-3-8-4-5(9)7-2-1-6-4/h1-3H,(H,10,11)/p-1
InChIKeyBQCCOQMEYBBVRC-UHFFFAOYSA-M
XLogP-0.53
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-b]pyrazine-3-sulfinate?
The IUPAC name of imidazo[4,5-b]pyrazine-3-sulfinate (CID 171581840) is imidazo[4,5-b]pyrazine-3-sulfinate.
What is the SMILES notation for imidazo[4,5-b]pyrazine-3-sulfinate?
The canonical SMILES for imidazo[4,5-b]pyrazine-3-sulfinate is O=S([O-])n1cnc2nccnc21.
What is the InChIKey of imidazo[4,5-b]pyrazine-3-sulfinate?
The InChIKey is BQCCOQMEYBBVRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N4O2S/c10-12(11)9-3-8-4-5(9)7-2-1-6-4/h1-3H,(H,10,11)/p-1.
What are the key properties of imidazo[4,5-b]pyrazine-3-sulfinate?
imidazo[4,5-b]pyrazine-3-sulfinate has a molecular weight of 183.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-b]pyrazine-3-sulfinate is sourced from PubChem (CID 171581840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).