3-(ethylamino)pyrazine-2-carboxylic acid

C7H9N3O2 — CID 62711970

IUPAC3-(ethylamino)pyrazine-2-carboxylic acid
SMILESCCNc1nccnc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-2-8-6-5(7(11)12)9-3-4-10-6/h3-4H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyCJAXQUTZMGJTFA-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.61
Rot. Bonds3

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

3-(ethylamino)pyrazine-2-carboxylic acid (PubChem CID 62711970) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(ethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)pyrazine-2-carboxylic acid
PubChem CID62711970
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(ethylamino)pyrazine-2-carboxylic acid
SMILESCCNc1nccnc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-2-8-6-5(7(11)12)9-3-4-10-6/h3-4H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyCJAXQUTZMGJTFA-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 3-(ethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(ethylamino)pyrazine-2-carboxylic acid (CID 62711970) is 3-(ethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(ethylamino)pyrazine-2-carboxylic acid is CCNc1nccnc1C(=O)O.
What is the InChIKey of 3-(ethylamino)pyrazine-2-carboxylic acid?
The InChIKey is CJAXQUTZMGJTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-8-6-5(7(11)12)9-3-4-10-6/h3-4H,2H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 3-(ethylamino)pyrazine-2-carboxylic acid?
3-(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 3-(ethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62711970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).