6-(dimethylamino)pyrazine-2-carboxylic acid

C7H9N3O2 — CID 1282536

IUPAC6-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1cncc(C(=O)O)n1
InChIInChI=1S/C7H9N3O2/c1-10(2)6-4-8-3-5(9-6)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyRFADYEKKBJUDBE-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About 6-(dimethylamino)pyrazine-2-carboxylic acid

6-(dimethylamino)pyrazine-2-carboxylic acid (PubChem CID 1282536) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-(dimethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)pyrazine-2-carboxylic acid
PubChem CID1282536
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name6-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1cncc(C(=O)O)n1
InChIInChI=1S/C7H9N3O2/c1-10(2)6-4-8-3-5(9-6)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyRFADYEKKBJUDBE-UHFFFAOYSA-N
XLogP0.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(dimethylamino)pyrazine-2-carboxylic acid (CID 1282536) is 6-(dimethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)pyrazine-2-carboxylic acid is CN(C)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-(dimethylamino)pyrazine-2-carboxylic acid?
The InChIKey is RFADYEKKBJUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10(2)6-4-8-3-5(9-6)7(11)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-(dimethylamino)pyrazine-2-carboxylic acid?
6-(dimethylamino)pyrazine-2-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 1282536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).