2-(sulfinatoamino)pyrazine

C4H4N3O2S- — CID 23121789

IUPAC2-(sulfinatoamino)pyrazine
SMILESO=S([O-])Nc1cnccn1
InChIInChI=1S/C4H5N3O2S/c8-10(9)7-4-3-5-1-2-6-4/h1-3H,(H,6,7)(H,8,9)/p-1
InChIKeyMOXYNXZNJIUARU-UHFFFAOYSA-M
MW158.16 g/mol
LogP-0.32
Rot. Bonds2

About 2-(sulfinatoamino)pyrazine

2-(sulfinatoamino)pyrazine (PubChem CID 23121789) has the molecular formula C4H4N3O2S- and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(sulfinatoamino)pyrazine.

Molecular Properties

Compound Name2-(sulfinatoamino)pyrazine
PubChem CID23121789
Molecular FormulaC4H4N3O2S-
Molecular Weight158.16 g/mol
Exact Mass158.00
IUPAC Name2-(sulfinatoamino)pyrazine
SMILESO=S([O-])Nc1cnccn1
InChIInChI=1S/C4H5N3O2S/c8-10(9)7-4-3-5-1-2-6-4/h1-3H,(H,6,7)(H,8,9)/p-1
InChIKeyMOXYNXZNJIUARU-UHFFFAOYSA-M
XLogP-0.32
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(sulfinatoamino)pyrazine?
The IUPAC name of 2-(sulfinatoamino)pyrazine (CID 23121789) is 2-(sulfinatoamino)pyrazine.
What is the SMILES notation for 2-(sulfinatoamino)pyrazine?
The canonical SMILES for 2-(sulfinatoamino)pyrazine is O=S([O-])Nc1cnccn1.
What is the InChIKey of 2-(sulfinatoamino)pyrazine?
The InChIKey is MOXYNXZNJIUARU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N3O2S/c8-10(9)7-4-3-5-1-2-6-4/h1-3H,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2-(sulfinatoamino)pyrazine?
2-(sulfinatoamino)pyrazine has a molecular weight of 158.16 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)pyrazine is sourced from PubChem (CID 23121789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).