3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid

C13H19N3O2 — CID 55107931

IUPAC3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-13(18)11-12(16-9-8-14-11)15-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,15,16)(H,17,18)
InChIKeyXIHXVIMHLJYUBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds5

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

3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid (PubChem CID 55107931) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid
PubChem CID55107931
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c17-13(18)11-12(16-9-8-14-11)15-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,15,16)(H,17,18)
InChIKeyXIHXVIMHLJYUBK-UHFFFAOYSA-N
XLogP2.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid (CID 55107931) is 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid?
The InChIKey is XIHXVIMHLJYUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)11-12(16-9-8-14-11)15-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid?
3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).