phenyl 3-methoxy-2H-pyrazine-1-carboxylate

C12H12N2O3 — CID 57409224

IUPACphenyl 3-methoxy-2H-pyrazine-1-carboxylate
SMILESCOC1=NC=CN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H12N2O3/c1-16-11-9-14(8-7-13-11)12(15)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYPXHPDBAVMUALY-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.02
Rot. Bonds1

About phenyl 3-methoxy-2H-pyrazine-1-carboxylate

phenyl 3-methoxy-2H-pyrazine-1-carboxylate (PubChem CID 57409224) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is phenyl 3-methoxy-2H-pyrazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-methoxy-2H-pyrazine-1-carboxylate
PubChem CID57409224
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namephenyl 3-methoxy-2H-pyrazine-1-carboxylate
SMILESCOC1=NC=CN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H12N2O3/c1-16-11-9-14(8-7-13-11)12(15)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYPXHPDBAVMUALY-UHFFFAOYSA-N
XLogP2.02
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl 3-methoxy-2H-pyrazine-1-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 phenyl 3-methoxy-2H-pyrazine-1-carboxylate?
The IUPAC name of phenyl 3-methoxy-2H-pyrazine-1-carboxylate (CID 57409224) is phenyl 3-methoxy-2H-pyrazine-1-carboxylate.
What is the SMILES notation for phenyl 3-methoxy-2H-pyrazine-1-carboxylate?
The canonical SMILES for phenyl 3-methoxy-2H-pyrazine-1-carboxylate is COC1=NC=CN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl 3-methoxy-2H-pyrazine-1-carboxylate?
The InChIKey is YPXHPDBAVMUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-11-9-14(8-7-13-11)12(15)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of phenyl 3-methoxy-2H-pyrazine-1-carboxylate?
phenyl 3-methoxy-2H-pyrazine-1-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-methoxy-2H-pyrazine-1-carboxylate is sourced from PubChem (CID 57409224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).