sodium pyrazin-2-olate

C4H3N2NaO — CID 23668973

IUPACsodium pyrazin-2-olate
SMILES[Na+].[O-]c1cnccn1
InChIInChI=1S/C4H4N2O.Na/c7-4-3-5-1-2-6-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyPXEGUCRXJYLKLJ-UHFFFAOYSA-M
MW118.07 g/mol
LogP-3.45
Rot. Bonds

About sodium pyrazin-2-olate

sodium pyrazin-2-olate (PubChem CID 23668973) has the molecular formula C4H3N2NaO and a molecular weight of 118.07 g/mol. Its IUPAC name is sodium pyrazin-2-olate.

Molecular Properties

Compound Namesodium pyrazin-2-olate
PubChem CID23668973
Molecular FormulaC4H3N2NaO
Molecular Weight118.07 g/mol
Exact Mass118.01
IUPAC Namesodium pyrazin-2-olate
SMILES[Na+].[O-]c1cnccn1
InChIInChI=1S/C4H4N2O.Na/c7-4-3-5-1-2-6-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyPXEGUCRXJYLKLJ-UHFFFAOYSA-M
XLogP-3.45
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.07
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium pyrazin-2-olate?
The IUPAC name of sodium pyrazin-2-olate (CID 23668973) is sodium pyrazin-2-olate.
What is the SMILES notation for sodium pyrazin-2-olate?
The canonical SMILES for sodium pyrazin-2-olate is [Na+].[O-]c1cnccn1.
What is the InChIKey of sodium pyrazin-2-olate?
The InChIKey is PXEGUCRXJYLKLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O.Na/c7-4-3-5-1-2-6-4;/h1-3H,(H,6,7);/q;+1/p-1.
What are the key properties of sodium pyrazin-2-olate?
sodium pyrazin-2-olate has a molecular weight of 118.07 g/mol, XLogP of -3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyrazin-2-olate is sourced from PubChem (CID 23668973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).