5-ethylpyrazine-2,3-diimine

C6H8N4 — CID 89225463

IUPAC5-ethylpyrazine-2,3-diimine
SMILES[H]/N=C1\N=CC(CC)=N\C1=N/[H]
InChIInChI=1S/C6H8N4/c1-2-4-3-9-5(7)6(8)10-4/h3,7-8H,2H2,1H3/b7-5-,8-6-
InChIKeyQXRBLIQZLWFLQS-SFECMWDFSA-N
MW136.16 g/mol
LogP0.88
Rot. Bonds1

About 5-ethylpyrazine-2,3-diimine

5-ethylpyrazine-2,3-diimine (PubChem CID 89225463) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-ethylpyrazine-2,3-diimine.

Molecular Properties

Compound Name5-ethylpyrazine-2,3-diimine
PubChem CID89225463
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-ethylpyrazine-2,3-diimine
SMILES[H]/N=C1\N=CC(CC)=N\C1=N/[H]
InChIInChI=1S/C6H8N4/c1-2-4-3-9-5(7)6(8)10-4/h3,7-8H,2H2,1H3/b7-5-,8-6-
InChIKeyQXRBLIQZLWFLQS-SFECMWDFSA-N
XLogP0.88
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrazine-2,3-diimine?
The IUPAC name of 5-ethylpyrazine-2,3-diimine (CID 89225463) is 5-ethylpyrazine-2,3-diimine.
What is the SMILES notation for 5-ethylpyrazine-2,3-diimine?
The canonical SMILES for 5-ethylpyrazine-2,3-diimine is [H]/N=C1\N=CC(CC)=N\C1=N/[H].
What is the InChIKey of 5-ethylpyrazine-2,3-diimine?
The InChIKey is QXRBLIQZLWFLQS-SFECMWDFSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-4-3-9-5(7)6(8)10-4/h3,7-8H,2H2,1H3/b7-5-,8-6-.
What are the key properties of 5-ethylpyrazine-2,3-diimine?
5-ethylpyrazine-2,3-diimine has a molecular weight of 136.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrazine-2,3-diimine is sourced from PubChem (CID 89225463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).