3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

C11H20N2O2 — CID 11127725

IUPAC3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=NC(C(C)C)C(OCC)=NC1
InChIInChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3
InChIKeyHRAZLOIRFUQOPL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds3

About 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 11127725) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID11127725
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=NC(C(C)C)C(OCC)=NC1
InChIInChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3
InChIKeyHRAZLOIRFUQOPL-UHFFFAOYSA-N
XLogP1.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine (CID 11127725) is 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine is CCOC1=NC(C(C)C)C(OCC)=NC1.
What is the InChIKey of 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is HRAZLOIRFUQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine?
3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 212.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 11127725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).