1,2,4-trimethylpyrazine

C7H12N2 — CID 45087225

IUPAC1,2,4-trimethylpyrazine
SMILESCC1=CN(C)C=CN1C
InChIInChI=1S/C7H12N2/c1-7-6-8(2)4-5-9(7)3/h4-6H,1-3H3
InChIKeySXCLJEUBBROISF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.20
Rot. Bonds

About 1,2,4-trimethylpyrazine

1,2,4-trimethylpyrazine (PubChem CID 45087225) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,4-trimethylpyrazine.

Molecular Properties

Compound Name1,2,4-trimethylpyrazine
PubChem CID45087225
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,4-trimethylpyrazine
SMILESCC1=CN(C)C=CN1C
InChIInChI=1S/C7H12N2/c1-7-6-8(2)4-5-9(7)3/h4-6H,1-3H3
InChIKeySXCLJEUBBROISF-UHFFFAOYSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylpyrazine?
The IUPAC name of 1,2,4-trimethylpyrazine (CID 45087225) is 1,2,4-trimethylpyrazine.
What is the SMILES notation for 1,2,4-trimethylpyrazine?
The canonical SMILES for 1,2,4-trimethylpyrazine is CC1=CN(C)C=CN1C.
What is the InChIKey of 1,2,4-trimethylpyrazine?
The InChIKey is SXCLJEUBBROISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7-6-8(2)4-5-9(7)3/h4-6H,1-3H3.
What are the key properties of 1,2,4-trimethylpyrazine?
1,2,4-trimethylpyrazine has a molecular weight of 124.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylpyrazine is sourced from PubChem (CID 45087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).