5-ethenyl-2,3-dimethoxypyrazine

C8H10N2O2 — CID 163871924

IUPAC5-ethenyl-2,3-dimethoxypyrazine
SMILESC=Cc1cnc(OC)c(OC)n1
InChIInChI=1S/C8H10N2O2/c1-4-6-5-9-7(11-2)8(10-6)12-3/h4-5H,1H2,2-3H3
InChIKeyPLNZWPIKGNJRCU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.14
Rot. Bonds3

About 5-ethenyl-2,3-dimethoxypyrazine

5-ethenyl-2,3-dimethoxypyrazine (PubChem CID 163871924) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-ethenyl-2,3-dimethoxypyrazine.

Molecular Properties

Compound Name5-ethenyl-2,3-dimethoxypyrazine
PubChem CID163871924
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-ethenyl-2,3-dimethoxypyrazine
SMILESC=Cc1cnc(OC)c(OC)n1
InChIInChI=1S/C8H10N2O2/c1-4-6-5-9-7(11-2)8(10-6)12-3/h4-5H,1H2,2-3H3
InChIKeyPLNZWPIKGNJRCU-UHFFFAOYSA-N
XLogP1.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,3-dimethoxypyrazine?
The IUPAC name of 5-ethenyl-2,3-dimethoxypyrazine (CID 163871924) is 5-ethenyl-2,3-dimethoxypyrazine.
What is the SMILES notation for 5-ethenyl-2,3-dimethoxypyrazine?
The canonical SMILES for 5-ethenyl-2,3-dimethoxypyrazine is C=Cc1cnc(OC)c(OC)n1.
What is the InChIKey of 5-ethenyl-2,3-dimethoxypyrazine?
The InChIKey is PLNZWPIKGNJRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-6-5-9-7(11-2)8(10-6)12-3/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-2,3-dimethoxypyrazine?
5-ethenyl-2,3-dimethoxypyrazine has a molecular weight of 166.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3-dimethoxypyrazine is sourced from PubChem (CID 163871924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).