5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid

C12H14N2O3 — CID 86682331

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C12H14N2O3/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7/h5,7-8H,1-4,6H2,(H,15,16)
InChIKeyHXMWTKVQSNQSBV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.84
Rot. Bonds5

About 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid

5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid (PubChem CID 86682331) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
PubChem CID86682331
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C12H14N2O3/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7/h5,7-8H,1-4,6H2,(H,15,16)
InChIKeyHXMWTKVQSNQSBV-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-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 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid (CID 86682331) is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The InChIKey is HXMWTKVQSNQSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7/h5,7-8H,1-4,6H2,(H,15,16).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 86682331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).