3-ethyl-1,2-dihydropyrazine

C6H10N2 — CID 154535463

IUPAC3-ethyl-1,2-dihydropyrazine
SMILESCCC1=NC=CNC1
InChIInChI=1S/C6H10N2/c1-2-6-5-7-3-4-8-6/h3-4,7H,2,5H2,1H3
InChIKeyPQZVCGZEGFJGFI-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds1

About 3-ethyl-1,2-dihydropyrazine

3-ethyl-1,2-dihydropyrazine (PubChem CID 154535463) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name3-ethyl-1,2-dihydropyrazine
PubChem CID154535463
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethyl-1,2-dihydropyrazine
SMILESCCC1=NC=CNC1
InChIInChI=1S/C6H10N2/c1-2-6-5-7-3-4-8-6/h3-4,7H,2,5H2,1H3
InChIKeyPQZVCGZEGFJGFI-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dihydropyrazine?
The IUPAC name of 3-ethyl-1,2-dihydropyrazine (CID 154535463) is 3-ethyl-1,2-dihydropyrazine.
What is the SMILES notation for 3-ethyl-1,2-dihydropyrazine?
The canonical SMILES for 3-ethyl-1,2-dihydropyrazine is CCC1=NC=CNC1.
What is the InChIKey of 3-ethyl-1,2-dihydropyrazine?
The InChIKey is PQZVCGZEGFJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-5-7-3-4-8-6/h3-4,7H,2,5H2,1H3.
What are the key properties of 3-ethyl-1,2-dihydropyrazine?
3-ethyl-1,2-dihydropyrazine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dihydropyrazine is sourced from PubChem (CID 154535463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).