phenacyl pyrazine-2-carboxylate

C13H10N2O3 — CID 647387

IUPACphenacyl pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C13H10N2O3/c16-12(10-4-2-1-3-5-10)9-18-13(17)11-8-14-6-7-15-11/h1-8H,9H2
InChIKeyPBBKMFWITHDDJO-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.52
Rot. Bonds4

About phenacyl pyrazine-2-carboxylate

phenacyl pyrazine-2-carboxylate (PubChem CID 647387) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is phenacyl pyrazine-2-carboxylate.

Molecular Properties

Compound Namephenacyl pyrazine-2-carboxylate
PubChem CID647387
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Namephenacyl pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C13H10N2O3/c16-12(10-4-2-1-3-5-10)9-18-13(17)11-8-14-6-7-15-11/h1-8H,9H2
InChIKeyPBBKMFWITHDDJO-UHFFFAOYSA-N
XLogP1.52
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze phenacyl pyrazine-2-carboxylate 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 phenacyl pyrazine-2-carboxylate?
The IUPAC name of phenacyl pyrazine-2-carboxylate (CID 647387) is phenacyl pyrazine-2-carboxylate.
What is the SMILES notation for phenacyl pyrazine-2-carboxylate?
The canonical SMILES for phenacyl pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of phenacyl pyrazine-2-carboxylate?
The InChIKey is PBBKMFWITHDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12(10-4-2-1-3-5-10)9-18-13(17)11-8-14-6-7-15-11/h1-8H,9H2.
What are the key properties of phenacyl pyrazine-2-carboxylate?
phenacyl pyrazine-2-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl pyrazine-2-carboxylate is sourced from PubChem (CID 647387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).