5-ethyl-2,3-dimethylpyrazine

C8H12N2 — CID 27460

IUPAC5-ethyl-2,3-dimethylpyrazine
SMILESCCc1cnc(C)c(C)n1
InChIInChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
InChIKeyCIBKSMZEVHTQLG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.66
Rot. Bonds1

About 5-ethyl-2,3-dimethylpyrazine

5-ethyl-2,3-dimethylpyrazine (PubChem CID 27460) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylpyrazine
PubChem CID27460
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethyl-2,3-dimethylpyrazine
SMILESCCc1cnc(C)c(C)n1
InChIInChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
InChIKeyCIBKSMZEVHTQLG-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylpyrazine?
The IUPAC name of 5-ethyl-2,3-dimethylpyrazine (CID 27460) is 5-ethyl-2,3-dimethylpyrazine.
What is the SMILES notation for 5-ethyl-2,3-dimethylpyrazine?
The canonical SMILES for 5-ethyl-2,3-dimethylpyrazine is CCc1cnc(C)c(C)n1.
What is the InChIKey of 5-ethyl-2,3-dimethylpyrazine?
The InChIKey is CIBKSMZEVHTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylpyrazine?
5-ethyl-2,3-dimethylpyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylpyrazine is sourced from PubChem (CID 27460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).