3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid

C6H5N3O4 — CID 12619134

IUPAC3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESNC(=O)c1ncc(=O)[nH]c1C(=O)O
InChIInChI=1S/C6H5N3O4/c7-5(11)3-4(6(12)13)9-2(10)1-8-3/h1H,(H2,7,11)(H,9,10)(H,12,13)
InChIKeyDAOFEKDZTJAXDB-UHFFFAOYSA-N
MW183.12 g/mol
LogP-1.43
Rot. Bonds2

About 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid

3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid (PubChem CID 12619134) has the molecular formula C6H5N3O4 and a molecular weight of 183.12 g/mol. Its IUPAC name is 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid
PubChem CID12619134
Molecular FormulaC6H5N3O4
Molecular Weight183.12 g/mol
Exact Mass183.03
IUPAC Name3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESNC(=O)c1ncc(=O)[nH]c1C(=O)O
InChIInChI=1S/C6H5N3O4/c7-5(11)3-4(6(12)13)9-2(10)1-8-3/h1H,(H2,7,11)(H,9,10)(H,12,13)
InChIKeyDAOFEKDZTJAXDB-UHFFFAOYSA-N
XLogP-1.43
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The IUPAC name of 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid (CID 12619134) is 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The canonical SMILES for 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid is NC(=O)c1ncc(=O)[nH]c1C(=O)O.
What is the InChIKey of 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The InChIKey is DAOFEKDZTJAXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O4/c7-5(11)3-4(6(12)13)9-2(10)1-8-3/h1H,(H2,7,11)(H,9,10)(H,12,13).
What are the key properties of 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid?
3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid has a molecular weight of 183.12 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid is sourced from PubChem (CID 12619134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).