2,3,5-trimethylpyrazine

C7H10N2 — CID 26808

IUPAC2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1
InChIInChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
InChIKeyIAEGWXHKWJGQAZ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds

About 2,3,5-trimethylpyrazine

2,3,5-trimethylpyrazine (PubChem CID 26808) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,5-trimethylpyrazine.

Molecular Properties

Compound Name2,3,5-trimethylpyrazine
PubChem CID26808
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1
InChIInChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
InChIKeyIAEGWXHKWJGQAZ-UHFFFAOYSA-N
XLogP1.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylpyrazine?
The IUPAC name of 2,3,5-trimethylpyrazine (CID 26808) is 2,3,5-trimethylpyrazine.
What is the SMILES notation for 2,3,5-trimethylpyrazine?
The canonical SMILES for 2,3,5-trimethylpyrazine is Cc1cnc(C)c(C)n1.
What is the InChIKey of 2,3,5-trimethylpyrazine?
The InChIKey is IAEGWXHKWJGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3.
What are the key properties of 2,3,5-trimethylpyrazine?
2,3,5-trimethylpyrazine has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylpyrazine is sourced from PubChem (CID 26808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).