1-benzyl-3,5-dichloropyrazin-2-one

C11H8Cl2N2O — CID 11299805

IUPAC1-benzyl-3,5-dichloropyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C11H8Cl2N2O/c12-9-7-15(11(16)10(13)14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyHOQQWVHNEUMOAJ-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.60
Rot. Bonds2

About 1-benzyl-3,5-dichloropyrazin-2-one

1-benzyl-3,5-dichloropyrazin-2-one (PubChem CID 11299805) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-benzyl-3,5-dichloropyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-3,5-dichloropyrazin-2-one
PubChem CID11299805
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name1-benzyl-3,5-dichloropyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C11H8Cl2N2O/c12-9-7-15(11(16)10(13)14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyHOQQWVHNEUMOAJ-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dichloropyrazin-2-one?
The IUPAC name of 1-benzyl-3,5-dichloropyrazin-2-one (CID 11299805) is 1-benzyl-3,5-dichloropyrazin-2-one.
What is the SMILES notation for 1-benzyl-3,5-dichloropyrazin-2-one?
The canonical SMILES for 1-benzyl-3,5-dichloropyrazin-2-one is O=c1c(Cl)nc(Cl)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,5-dichloropyrazin-2-one?
The InChIKey is HOQQWVHNEUMOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-9-7-15(11(16)10(13)14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 1-benzyl-3,5-dichloropyrazin-2-one?
1-benzyl-3,5-dichloropyrazin-2-one has a molecular weight of 255.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dichloropyrazin-2-one is sourced from PubChem (CID 11299805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).