2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine

C5H6N2 — CID 117064745

IUPAC2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine
SMILES[2H]c1nc([2H])c(C([2H])([2H])[2H])nc1[2H]
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3/i1D3,2D,3D,4D
InChIKeyCAWHJQAVHZEVTJ-RLTMCGQMSA-N
MW100.15 g/mol
LogP0.79
Rot. Bonds1

About 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine

2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine (PubChem CID 117064745) has the molecular formula C5H6N2 and a molecular weight of 100.15 g/mol. Its IUPAC name is 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine.

Molecular Properties

Compound Name2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine
PubChem CID117064745
Molecular FormulaC5H6N2
Molecular Weight100.15 g/mol
Exact Mass100.09
IUPAC Name2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine
SMILES[2H]c1nc([2H])c(C([2H])([2H])[2H])nc1[2H]
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3/i1D3,2D,3D,4D
InChIKeyCAWHJQAVHZEVTJ-RLTMCGQMSA-N
XLogP0.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine?
The IUPAC name of 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine (CID 117064745) is 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine.
What is the SMILES notation for 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine?
The canonical SMILES for 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine is [2H]c1nc([2H])c(C([2H])([2H])[2H])nc1[2H].
What is the InChIKey of 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine?
The InChIKey is CAWHJQAVHZEVTJ-RLTMCGQMSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3/i1D3,2D,3D,4D.
What are the key properties of 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine?
2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine has a molecular weight of 100.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trideuterio-6-(trideuteriomethyl)pyrazine is sourced from PubChem (CID 117064745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).