ethane;1-ethylpyrazin-2-one

C8H14N2O — CID 143160745

IUPACethane;1-ethylpyrazin-2-one
SMILESCC.CCn1ccncc1=O
InChIInChI=1S/C6H8N2O.C2H6/c1-2-8-4-3-7-5-6(8)9;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyNHZLZNSWTHMYMO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds1

About ethane;1-ethylpyrazin-2-one

ethane;1-ethylpyrazin-2-one (PubChem CID 143160745) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;1-ethylpyrazin-2-one.

Molecular Properties

Compound Nameethane;1-ethylpyrazin-2-one
PubChem CID143160745
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameethane;1-ethylpyrazin-2-one
SMILESCC.CCn1ccncc1=O
InChIInChI=1S/C6H8N2O.C2H6/c1-2-8-4-3-7-5-6(8)9;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyNHZLZNSWTHMYMO-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylpyrazin-2-one?
The IUPAC name of ethane;1-ethylpyrazin-2-one (CID 143160745) is ethane;1-ethylpyrazin-2-one.
What is the SMILES notation for ethane;1-ethylpyrazin-2-one?
The canonical SMILES for ethane;1-ethylpyrazin-2-one is CC.CCn1ccncc1=O.
What is the InChIKey of ethane;1-ethylpyrazin-2-one?
The InChIKey is NHZLZNSWTHMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-2-8-4-3-7-5-6(8)9;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-ethylpyrazin-2-one?
ethane;1-ethylpyrazin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpyrazin-2-one is sourced from PubChem (CID 143160745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).