pyrazine-2-carboxylic acid

C5H4N2O2 — CID 1047

IUPACpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnccn1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.17
Rot. Bonds1

About pyrazine-2-carboxylic acid

pyrazine-2-carboxylic acid (PubChem CID 1047) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is pyrazine-2-carboxylic acid.

Molecular Properties

Compound Namepyrazine-2-carboxylic acid
PubChem CID1047
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Namepyrazine-2-carboxylic acid
SMILESO=C(O)c1cnccn1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
XLogP0.17
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazine-2-carboxylic acid?
The IUPAC name of pyrazine-2-carboxylic acid (CID 1047) is pyrazine-2-carboxylic acid.
What is the SMILES notation for pyrazine-2-carboxylic acid?
The canonical SMILES for pyrazine-2-carboxylic acid is O=C(O)c1cnccn1.
What is the InChIKey of pyrazine-2-carboxylic acid?
The InChIKey is NIPZZXUFJPQHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9).
What are the key properties of pyrazine-2-carboxylic acid?
pyrazine-2-carboxylic acid has a molecular weight of 124.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2-carboxylic acid is sourced from PubChem (CID 1047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).