3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine

C8H12N2 — CID 131668073

IUPAC3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ncc(C)nc1C
InChIInChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3/i1D3,4D2
InChIKeyJZBCTZLGKSYRSF-SGEUAGPISA-N
MW141.23 g/mol
LogP1.66
Rot. Bonds2

About 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine

3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine (PubChem CID 131668073) has the molecular formula C8H12N2 and a molecular weight of 141.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine.

Molecular Properties

Compound Name3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine
PubChem CID131668073
Molecular FormulaC8H12N2
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ncc(C)nc1C
InChIInChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3/i1D3,4D2
InChIKeyJZBCTZLGKSYRSF-SGEUAGPISA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine?
The IUPAC name of 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine (CID 131668073) is 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine.
What is the SMILES notation for 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine?
The canonical SMILES for 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine is [2H]C([2H])([2H])C([2H])([2H])c1ncc(C)nc1C.
What is the InChIKey of 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine?
The InChIKey is JZBCTZLGKSYRSF-SGEUAGPISA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3/i1D3,4D2.
What are the key properties of 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine?
3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine has a molecular weight of 141.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1,1,2,2,2-pentadeuterioethyl)pyrazine is sourced from PubChem (CID 131668073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).