2,5-diethylpyrazine

C8H12N2 — CID 25797

IUPAC2,5-diethylpyrazine
SMILESCCc1cnc(CC)cn1
InChIInChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyWAVOLMBVDCRBGR-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds2

About 2,5-diethylpyrazine

2,5-diethylpyrazine (PubChem CID 25797) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,5-diethylpyrazine.

Molecular Properties

Compound Name2,5-diethylpyrazine
PubChem CID25797
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,5-diethylpyrazine
SMILESCCc1cnc(CC)cn1
InChIInChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyWAVOLMBVDCRBGR-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethylpyrazine?
The IUPAC name of 2,5-diethylpyrazine (CID 25797) is 2,5-diethylpyrazine.
What is the SMILES notation for 2,5-diethylpyrazine?
The canonical SMILES for 2,5-diethylpyrazine is CCc1cnc(CC)cn1.
What is the InChIKey of 2,5-diethylpyrazine?
The InChIKey is WAVOLMBVDCRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-diethylpyrazine?
2,5-diethylpyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylpyrazine is sourced from PubChem (CID 25797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).