1-butan-2-yl-3,5-dichloropyrazin-2-one

C8H10Cl2N2O — CID 18452788

IUPAC1-butan-2-yl-3,5-dichloropyrazin-2-one
SMILESCCC(C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-3-5(2)12-4-6(9)11-7(10)8(12)13/h4-5H,3H2,1-2H3
InChIKeyIEHXNLFGEFSETO-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.52
Rot. Bonds2

About 1-butan-2-yl-3,5-dichloropyrazin-2-one

1-butan-2-yl-3,5-dichloropyrazin-2-one (PubChem CID 18452788) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-butan-2-yl-3,5-dichloropyrazin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3,5-dichloropyrazin-2-one
PubChem CID18452788
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name1-butan-2-yl-3,5-dichloropyrazin-2-one
SMILESCCC(C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-3-5(2)12-4-6(9)11-7(10)8(12)13/h4-5H,3H2,1-2H3
InChIKeyIEHXNLFGEFSETO-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,5-dichloropyrazin-2-one?
The IUPAC name of 1-butan-2-yl-3,5-dichloropyrazin-2-one (CID 18452788) is 1-butan-2-yl-3,5-dichloropyrazin-2-one.
What is the SMILES notation for 1-butan-2-yl-3,5-dichloropyrazin-2-one?
The canonical SMILES for 1-butan-2-yl-3,5-dichloropyrazin-2-one is CCC(C)n1cc(Cl)nc(Cl)c1=O.
What is the InChIKey of 1-butan-2-yl-3,5-dichloropyrazin-2-one?
The InChIKey is IEHXNLFGEFSETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-3-5(2)12-4-6(9)11-7(10)8(12)13/h4-5H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-3,5-dichloropyrazin-2-one?
1-butan-2-yl-3,5-dichloropyrazin-2-one has a molecular weight of 221.09 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,5-dichloropyrazin-2-one is sourced from PubChem (CID 18452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).