6-ethyl-1-propan-2-ylpyrazin-2-one

C9H14N2O — CID 130251242

IUPAC6-ethyl-1-propan-2-ylpyrazin-2-one
SMILESCCc1cncc(=O)n1C(C)C
InChIInChI=1S/C9H14N2O/c1-4-8-5-10-6-9(12)11(8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyUIKCIUYSPGTWBJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds2

About 6-ethyl-1-propan-2-ylpyrazin-2-one

6-ethyl-1-propan-2-ylpyrazin-2-one (PubChem CID 130251242) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-ethyl-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-1-propan-2-ylpyrazin-2-one
PubChem CID130251242
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-ethyl-1-propan-2-ylpyrazin-2-one
SMILESCCc1cncc(=O)n1C(C)C
InChIInChI=1S/C9H14N2O/c1-4-8-5-10-6-9(12)11(8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyUIKCIUYSPGTWBJ-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 6-ethyl-1-propan-2-ylpyrazin-2-one (CID 130251242) is 6-ethyl-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 6-ethyl-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 6-ethyl-1-propan-2-ylpyrazin-2-one is CCc1cncc(=O)n1C(C)C.
What is the InChIKey of 6-ethyl-1-propan-2-ylpyrazin-2-one?
The InChIKey is UIKCIUYSPGTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-8-5-10-6-9(12)11(8)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 6-ethyl-1-propan-2-ylpyrazin-2-one?
6-ethyl-1-propan-2-ylpyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 130251242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).