6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid

C12H17N3O2 — CID 66450152

IUPAC6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
SMILESCC(Nc1cncc(C(=O)O)n1)C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)14-11-7-13-6-10(15-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYETJFFRNRLEZHY-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.17
Rot. Bonds4

About 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid

6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid (PubChem CID 66450152) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
PubChem CID66450152
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
SMILESCC(Nc1cncc(C(=O)O)n1)C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)14-11-7-13-6-10(15-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYETJFFRNRLEZHY-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid (CID 66450152) is 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid is CC(Nc1cncc(C(=O)O)n1)C1CCCC1.
What is the InChIKey of 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The InChIKey is YETJFFRNRLEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)14-11-7-13-6-10(15-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).