4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine

C6H9F3N2O — CID 91273567

IUPAC4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine
SMILESCN1CCN=C(OC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-11-3-2-10-5(4-11)12-6(7,8)9/h2-4H2,1H3
InChIKeyREWWSSBMELCGCJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.87
Rot. Bonds

About 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine

4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine (PubChem CID 91273567) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine
PubChem CID91273567
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine
SMILESCN1CCN=C(OC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-11-3-2-10-5(4-11)12-6(7,8)9/h2-4H2,1H3
InChIKeyREWWSSBMELCGCJ-UHFFFAOYSA-N
XLogP0.87
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine?
The IUPAC name of 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine (CID 91273567) is 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine.
What is the SMILES notation for 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine?
The canonical SMILES for 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine is CN1CCN=C(OC(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine?
The InChIKey is REWWSSBMELCGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-11-3-2-10-5(4-11)12-6(7,8)9/h2-4H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine?
4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine has a molecular weight of 182.14 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethoxy)-3,5-dihydro-2H-pyrazine is sourced from PubChem (CID 91273567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).