2-(dimethoxymethyl)-5-methylpyrazine

C8H12N2O2 — CID 24865884

IUPAC2-(dimethoxymethyl)-5-methylpyrazine
SMILESCOC(OC)c1cnc(C)cn1
InChIInChI=1S/C8H12N2O2/c1-6-4-10-7(5-9-6)8(11-2)12-3/h4-5,8H,1-3H3
InChIKeyOJFKBWRKGMKBGE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds3

About 2-(dimethoxymethyl)-5-methylpyrazine

2-(dimethoxymethyl)-5-methylpyrazine (PubChem CID 24865884) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5-methylpyrazine
PubChem CID24865884
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(dimethoxymethyl)-5-methylpyrazine
SMILESCOC(OC)c1cnc(C)cn1
InChIInChI=1S/C8H12N2O2/c1-6-4-10-7(5-9-6)8(11-2)12-3/h4-5,8H,1-3H3
InChIKeyOJFKBWRKGMKBGE-UHFFFAOYSA-N
XLogP1.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
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-(dimethoxymethyl)-5-methylpyrazine?
The IUPAC name of 2-(dimethoxymethyl)-5-methylpyrazine (CID 24865884) is 2-(dimethoxymethyl)-5-methylpyrazine.
What is the SMILES notation for 2-(dimethoxymethyl)-5-methylpyrazine?
The canonical SMILES for 2-(dimethoxymethyl)-5-methylpyrazine is COC(OC)c1cnc(C)cn1.
What is the InChIKey of 2-(dimethoxymethyl)-5-methylpyrazine?
The InChIKey is OJFKBWRKGMKBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-4-10-7(5-9-6)8(11-2)12-3/h4-5,8H,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-5-methylpyrazine?
2-(dimethoxymethyl)-5-methylpyrazine has a molecular weight of 168.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-5-methylpyrazine is sourced from PubChem (CID 24865884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).