ethyl 2-(3-methylpyrazin-2-yl)acetate

C9H12N2O2 — CID 21486907

IUPACethyl 2-(3-methylpyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1nccnc1C
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)6-8-7(2)10-4-5-11-8/h4-5H,3,6H2,1-2H3
InChIKeyYZSONKCPSDYUGK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.89
Rot. Bonds3

About ethyl 2-(3-methylpyrazin-2-yl)acetate

ethyl 2-(3-methylpyrazin-2-yl)acetate (PubChem CID 21486907) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 2-(3-methylpyrazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylpyrazin-2-yl)acetate
PubChem CID21486907
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 2-(3-methylpyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1nccnc1C
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)6-8-7(2)10-4-5-11-8/h4-5H,3,6H2,1-2H3
InChIKeyYZSONKCPSDYUGK-UHFFFAOYSA-N
XLogP0.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-methylpyrazin-2-yl)acetate 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 ethyl 2-(3-methylpyrazin-2-yl)acetate?
The IUPAC name of ethyl 2-(3-methylpyrazin-2-yl)acetate (CID 21486907) is ethyl 2-(3-methylpyrazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylpyrazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylpyrazin-2-yl)acetate is CCOC(=O)Cc1nccnc1C.
What is the InChIKey of ethyl 2-(3-methylpyrazin-2-yl)acetate?
The InChIKey is YZSONKCPSDYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-13-9(12)6-8-7(2)10-4-5-11-8/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methylpyrazin-2-yl)acetate?
ethyl 2-(3-methylpyrazin-2-yl)acetate has a molecular weight of 180.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpyrazin-2-yl)acetate is sourced from PubChem (CID 21486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).