2,3,5-trimethylpyrazine

C28H40N8 — CID 158247591

IUPAC2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1
InChIInChI=1S/4C7H10N2/c4*1-5-4-8-6(2)7(3)9-5/h4*4H,1-3H3
InChIKeyGGHVSGMLIKETIG-UHFFFAOYSA-N
MW488.68 g/mol
LogP5.61
Rot. Bonds

About 2,3,5-trimethylpyrazine

2,3,5-trimethylpyrazine (PubChem CID 158247591) has the molecular formula C28H40N8 and a molecular weight of 488.68 g/mol. Its IUPAC name is 2,3,5-trimethylpyrazine.

Molecular Properties

Compound Name2,3,5-trimethylpyrazine
PubChem CID158247591
Molecular FormulaC28H40N8
Molecular Weight488.68 g/mol
Exact Mass488.34
IUPAC Name2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1
InChIInChI=1S/4C7H10N2/c4*1-5-4-8-6(2)7(3)9-5/h4*4H,1-3H3
InChIKeyGGHVSGMLIKETIG-UHFFFAOYSA-N
XLogP5.61
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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 158247591) 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.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.
What is the InChIKey of 2,3,5-trimethylpyrazine?
The InChIKey is GGHVSGMLIKETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H10N2/c4*1-5-4-8-6(2)7(3)9-5/h4*4H,1-3H3.
What are the key properties of 2,3,5-trimethylpyrazine?
2,3,5-trimethylpyrazine has a molecular weight of 488.68 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylpyrazine is sourced from PubChem (CID 158247591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).