5-ethyl-3-propyl-1H-pyrazin-2-one

C9H14N2O — CID 91242248

IUPAC5-ethyl-3-propyl-1H-pyrazin-2-one
SMILESCCCc1nc(CC)c[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-5-8-9(12)10-6-7(4-2)11-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyQFGANRWAGADVCE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds3

About 5-ethyl-3-propyl-1H-pyrazin-2-one

5-ethyl-3-propyl-1H-pyrazin-2-one (PubChem CID 91242248) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethyl-3-propyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-3-propyl-1H-pyrazin-2-one
PubChem CID91242248
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-ethyl-3-propyl-1H-pyrazin-2-one
SMILESCCCc1nc(CC)c[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-5-8-9(12)10-6-7(4-2)11-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyQFGANRWAGADVCE-UHFFFAOYSA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-propyl-1H-pyrazin-2-one?
The IUPAC name of 5-ethyl-3-propyl-1H-pyrazin-2-one (CID 91242248) is 5-ethyl-3-propyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-ethyl-3-propyl-1H-pyrazin-2-one?
The canonical SMILES for 5-ethyl-3-propyl-1H-pyrazin-2-one is CCCc1nc(CC)c[nH]c1=O.
What is the InChIKey of 5-ethyl-3-propyl-1H-pyrazin-2-one?
The InChIKey is QFGANRWAGADVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-8-9(12)10-6-7(4-2)11-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-ethyl-3-propyl-1H-pyrazin-2-one?
5-ethyl-3-propyl-1H-pyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-propyl-1H-pyrazin-2-one is sourced from PubChem (CID 91242248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).