3-cyclohexyloxypyrazine-2-carboxylic acid

C11H14N2O3 — CID 62702060

IUPAC3-cyclohexyloxypyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1OC1CCCCC1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-10(13-7-6-12-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyIBTDPVBUOJPXPI-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.89
Rot. Bonds3

About 3-cyclohexyloxypyrazine-2-carboxylic acid

3-cyclohexyloxypyrazine-2-carboxylic acid (PubChem CID 62702060) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-cyclohexyloxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyloxypyrazine-2-carboxylic acid
PubChem CID62702060
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-cyclohexyloxypyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1OC1CCCCC1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-10(13-7-6-12-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyIBTDPVBUOJPXPI-UHFFFAOYSA-N
XLogP1.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyloxypyrazine-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 3-cyclohexyloxypyrazine-2-carboxylic acid?
The IUPAC name of 3-cyclohexyloxypyrazine-2-carboxylic acid (CID 62702060) is 3-cyclohexyloxypyrazine-2-carboxylic acid.
What is the SMILES notation for 3-cyclohexyloxypyrazine-2-carboxylic acid?
The canonical SMILES for 3-cyclohexyloxypyrazine-2-carboxylic acid is O=C(O)c1nccnc1OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxypyrazine-2-carboxylic acid?
The InChIKey is IBTDPVBUOJPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)9-10(13-7-6-12-9)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 3-cyclohexyloxypyrazine-2-carboxylic acid?
3-cyclohexyloxypyrazine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxypyrazine-2-carboxylic acid is sourced from PubChem (CID 62702060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).