2-(diethoxymethyl)pyrazine

C9H14N2O2 — CID 20542415

IUPAC2-(diethoxymethyl)pyrazine
SMILESCCOC(OCC)c1cnccn1
InChIInChI=1S/C9H14N2O2/c1-3-12-9(13-4-2)8-7-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyABKGSSQDFJURBN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.55
Rot. Bonds5

About 2-(diethoxymethyl)pyrazine

2-(diethoxymethyl)pyrazine (PubChem CID 20542415) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(diethoxymethyl)pyrazine.

Molecular Properties

Compound Name2-(diethoxymethyl)pyrazine
PubChem CID20542415
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(diethoxymethyl)pyrazine
SMILESCCOC(OCC)c1cnccn1
InChIInChI=1S/C9H14N2O2/c1-3-12-9(13-4-2)8-7-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyABKGSSQDFJURBN-UHFFFAOYSA-N
XLogP1.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)pyrazine?
The IUPAC name of 2-(diethoxymethyl)pyrazine (CID 20542415) is 2-(diethoxymethyl)pyrazine.
What is the SMILES notation for 2-(diethoxymethyl)pyrazine?
The canonical SMILES for 2-(diethoxymethyl)pyrazine is CCOC(OCC)c1cnccn1.
What is the InChIKey of 2-(diethoxymethyl)pyrazine?
The InChIKey is ABKGSSQDFJURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-12-9(13-4-2)8-7-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)pyrazine?
2-(diethoxymethyl)pyrazine has a molecular weight of 182.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)pyrazine is sourced from PubChem (CID 20542415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).