3-(dimethylamino)pyrazine-2-carboxylic acid

C7H9N3O2 — CID 62701467

IUPAC3-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1nccnc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-10(2)6-5(7(11)12)8-3-4-9-6/h3-4H,1-2H3,(H,11,12)
InChIKeyVJRIFUKQTWIXCX-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About 3-(dimethylamino)pyrazine-2-carboxylic acid

3-(dimethylamino)pyrazine-2-carboxylic acid (PubChem CID 62701467) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(dimethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)pyrazine-2-carboxylic acid
PubChem CID62701467
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1nccnc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-10(2)6-5(7(11)12)8-3-4-9-6/h3-4H,1-2H3,(H,11,12)
InChIKeyVJRIFUKQTWIXCX-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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Related Compounds

2-Pyrazinecarboxylic acid
CID 1047
Methyl 3-aminopyrazinecarboxylate
CID 72669
3-Amino-2-pyrazinecarboxylic acid
CID 72656
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
5,6-dimethylpyrazine-2-carboxylic Acid
CID 11126456
3-Amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
Methyl 3-amino-6-methylpyrazine-2-carboxylate
CID 58840780
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
6-(Dimethylamino)pyrazine-2-carboxylic acid
CID 1282536

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(dimethylamino)pyrazine-2-carboxylic acid (CID 62701467) is 3-(dimethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)pyrazine-2-carboxylic acid is CN(C)c1nccnc1C(=O)O.
What is the InChIKey of 3-(dimethylamino)pyrazine-2-carboxylic acid?
The InChIKey is VJRIFUKQTWIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10(2)6-5(7(11)12)8-3-4-9-6/h3-4H,1-2H3,(H,11,12).
What are the key properties of 3-(dimethylamino)pyrazine-2-carboxylic acid?
3-(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 3-(dimethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).