3-carbamoylpyrazine-2-carboxylic acid

C6H5N3O3 — CID 556798

IUPAC3-carbamoylpyrazine-2-carboxylic acid
SMILESNC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)
InChIKeyVIBWYIDVHOAVJB-UHFFFAOYSA-N
MW167.12 g/mol
LogP-0.73
Rot. Bonds2

About 3-carbamoylpyrazine-2-carboxylic acid

3-carbamoylpyrazine-2-carboxylic acid (PubChem CID 556798) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is 3-carbamoylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-carbamoylpyrazine-2-carboxylic acid
PubChem CID556798
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Name3-carbamoylpyrazine-2-carboxylic acid
SMILESNC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)
InChIKeyVIBWYIDVHOAVJB-UHFFFAOYSA-N
XLogP-0.73
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoylpyrazine-2-carboxylic acid?
The IUPAC name of 3-carbamoylpyrazine-2-carboxylic acid (CID 556798) is 3-carbamoylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-carbamoylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-carbamoylpyrazine-2-carboxylic acid is NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-carbamoylpyrazine-2-carboxylic acid?
The InChIKey is VIBWYIDVHOAVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12).
What are the key properties of 3-carbamoylpyrazine-2-carboxylic acid?
3-carbamoylpyrazine-2-carboxylic acid has a molecular weight of 167.12 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoylpyrazine-2-carboxylic acid is sourced from PubChem (CID 556798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).