1,2-dimethylpyrazine

C6H8N2 — CID 89089115

IUPAC1,2-dimethylpyrazine
SMILESCC1=CN=C=CN1C
InChIInChI=1S/C6H8N2/c1-6-5-7-3-4-8(6)2/h4-5H,1-2H3
InChIKeyGCGNRKRTBMUFMZ-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.98
Rot. Bonds

About 1,2-dimethylpyrazine

1,2-dimethylpyrazine (PubChem CID 89089115) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1,2-dimethylpyrazine.

Molecular Properties

Compound Name1,2-dimethylpyrazine
PubChem CID89089115
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1,2-dimethylpyrazine
SMILESCC1=CN=C=CN1C
InChIInChI=1S/C6H8N2/c1-6-5-7-3-4-8(6)2/h4-5H,1-2H3
InChIKeyGCGNRKRTBMUFMZ-UHFFFAOYSA-N
XLogP0.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrazine?
The IUPAC name of 1,2-dimethylpyrazine (CID 89089115) is 1,2-dimethylpyrazine.
What is the SMILES notation for 1,2-dimethylpyrazine?
The canonical SMILES for 1,2-dimethylpyrazine is CC1=CN=C=CN1C.
What is the InChIKey of 1,2-dimethylpyrazine?
The InChIKey is GCGNRKRTBMUFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-5-7-3-4-8(6)2/h4-5H,1-2H3.
What are the key properties of 1,2-dimethylpyrazine?
1,2-dimethylpyrazine has a molecular weight of 108.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrazine is sourced from PubChem (CID 89089115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).