6-(ethylamino)pyrazine-2-carboxylic acid

C7H9N3O2 — CID 14500876

IUPAC6-(ethylamino)pyrazine-2-carboxylic acid
SMILESCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C7H9N3O2/c1-2-9-6-4-8-3-5(10-6)7(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyWEZMQMVAHNOKKF-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.61
Rot. Bonds3

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

6-(ethylamino)pyrazine-2-carboxylic acid (PubChem CID 14500876) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-(ethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)pyrazine-2-carboxylic acid
PubChem CID14500876
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name6-(ethylamino)pyrazine-2-carboxylic acid
SMILESCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C7H9N3O2/c1-2-9-6-4-8-3-5(10-6)7(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyWEZMQMVAHNOKKF-UHFFFAOYSA-N
XLogP0.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(ethylamino)pyrazine-2-carboxylic acid (CID 14500876) is 6-(ethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(ethylamino)pyrazine-2-carboxylic acid is CCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(ethylamino)pyrazine-2-carboxylic acid?
The InChIKey is WEZMQMVAHNOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-9-6-4-8-3-5(10-6)7(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 6-(ethylamino)pyrazine-2-carboxylic acid?
6-(ethylamino)pyrazine-2-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 14500876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).