3-(diethylamino)pyrazine-2-carboxylic acid

C9H13N3O2 — CID 62701473

IUPAC3-(diethylamino)pyrazine-2-carboxylic acid
SMILESCCN(CC)c1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)8-7(9(13)14)10-5-6-11-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyADHHEGGGWUBDIO-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

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

3-(diethylamino)pyrazine-2-carboxylic acid (PubChem CID 62701473) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(diethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(diethylamino)pyrazine-2-carboxylic acid
PubChem CID62701473
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(diethylamino)pyrazine-2-carboxylic acid
SMILESCCN(CC)c1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)8-7(9(13)14)10-5-6-11-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyADHHEGGGWUBDIO-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(diethylamino)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 3-(diethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(diethylamino)pyrazine-2-carboxylic acid (CID 62701473) is 3-(diethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(diethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(diethylamino)pyrazine-2-carboxylic acid is CCN(CC)c1nccnc1C(=O)O.
What is the InChIKey of 3-(diethylamino)pyrazine-2-carboxylic acid?
The InChIKey is ADHHEGGGWUBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-12(4-2)8-7(9(13)14)10-5-6-11-8/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(diethylamino)pyrazine-2-carboxylic acid?
3-(diethylamino)pyrazine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).