6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid

C9H12N4O3 — CID 66456798

IUPAC6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
SMILESCN(C)C(=O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H12N4O3/c1-13(2)8(14)5-11-7-4-10-3-6(12-7)9(15)16/h3-4H,5H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyZNDFPLGRXBNWAC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.33
Rot. Bonds4

About 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid

6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid (PubChem CID 66456798) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
PubChem CID66456798
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
SMILESCN(C)C(=O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H12N4O3/c1-13(2)8(14)5-11-7-4-10-3-6(12-7)9(15)16/h3-4H,5H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyZNDFPLGRXBNWAC-UHFFFAOYSA-N
XLogP-0.33
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid (CID 66456798) is 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid is CN(C)C(=O)CNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is ZNDFPLGRXBNWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-13(2)8(14)5-11-7-4-10-3-6(12-7)9(15)16/h3-4H,5H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid?
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).