6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid

C11H17N3O3 — CID 82950912

IUPAC6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCCN(c1cncc(C(=O)O)n1)C(C)C
InChIInChI=1S/C11H17N3O3/c1-8(2)14(4-5-17-3)10-7-12-6-9(13-10)11(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyAIYODSFHDOVZTB-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.04
Rot. Bonds6

About 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid

6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 82950912) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID82950912
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCCN(c1cncc(C(=O)O)n1)C(C)C
InChIInChI=1S/C11H17N3O3/c1-8(2)14(4-5-17-3)10-7-12-6-9(13-10)11(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyAIYODSFHDOVZTB-UHFFFAOYSA-N
XLogP1.04
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-methoxyethyl(propan-2-yl)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-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid (CID 82950912) is 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid is COCCN(c1cncc(C(=O)O)n1)C(C)C.
What is the InChIKey of 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is AIYODSFHDOVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)14(4-5-17-3)10-7-12-6-9(13-10)11(15)16/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 82950912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).