sodium 3-aminopyrazine-2-carboxylic acid

C5H5N3NaO2+ — CID 54598455

IUPACsodium 3-aminopyrazine-2-carboxylic acid
SMILESNc1nccnc1C(=O)O.[Na+]
InChIInChI=1S/C5H5N3O2.Na/c6-4-3(5(9)10)7-1-2-8-4;/h1-2H,(H2,6,8)(H,9,10);/q;+1
InChIKeyPOZGRSHRJXPWFB-UHFFFAOYSA-N
MW162.10 g/mol
LogP-3.24
Rot. Bonds1

About sodium 3-aminopyrazine-2-carboxylic acid

sodium 3-aminopyrazine-2-carboxylic acid (PubChem CID 54598455) has the molecular formula C5H5N3NaO2+ and a molecular weight of 162.10 g/mol. Its IUPAC name is sodium 3-aminopyrazine-2-carboxylic acid.

Molecular Properties

Compound Namesodium 3-aminopyrazine-2-carboxylic acid
PubChem CID54598455
Molecular FormulaC5H5N3NaO2+
Molecular Weight162.10 g/mol
Exact Mass162.03
IUPAC Namesodium 3-aminopyrazine-2-carboxylic acid
SMILESNc1nccnc1C(=O)O.[Na+]
InChIInChI=1S/C5H5N3O2.Na/c6-4-3(5(9)10)7-1-2-8-4;/h1-2H,(H2,6,8)(H,9,10);/q;+1
InChIKeyPOZGRSHRJXPWFB-UHFFFAOYSA-N
XLogP-3.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 3-aminopyrazine-2-carboxylic acid?
The IUPAC name of sodium 3-aminopyrazine-2-carboxylic acid (CID 54598455) is sodium 3-aminopyrazine-2-carboxylic acid.
What is the SMILES notation for sodium 3-aminopyrazine-2-carboxylic acid?
The canonical SMILES for sodium 3-aminopyrazine-2-carboxylic acid is Nc1nccnc1C(=O)O.[Na+].
What is the InChIKey of sodium 3-aminopyrazine-2-carboxylic acid?
The InChIKey is POZGRSHRJXPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2.Na/c6-4-3(5(9)10)7-1-2-8-4;/h1-2H,(H2,6,8)(H,9,10);/q;+1.
What are the key properties of sodium 3-aminopyrazine-2-carboxylic acid?
sodium 3-aminopyrazine-2-carboxylic acid has a molecular weight of 162.10 g/mol, XLogP of -3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-aminopyrazine-2-carboxylic acid is sourced from PubChem (CID 54598455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).