2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one

C11H10Cl2N2O — CID 18991295

IUPAC2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one
SMILESO=C1NN(Cc2ccccc2)CC(Cl)=C1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-9-7-15(14-11(16)10(9)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,16)
InChIKeyQMLCJQJSXIZBOZ-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.22
Rot. Bonds2

About 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one

2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one (PubChem CID 18991295) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one.

Molecular Properties

Compound Name2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one
PubChem CID18991295
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one
SMILESO=C1NN(Cc2ccccc2)CC(Cl)=C1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-9-7-15(14-11(16)10(9)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,16)
InChIKeyQMLCJQJSXIZBOZ-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one?
The IUPAC name of 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one (CID 18991295) is 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one.
What is the SMILES notation for 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one?
The canonical SMILES for 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one is O=C1NN(Cc2ccccc2)CC(Cl)=C1Cl.
What is the InChIKey of 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one?
The InChIKey is QMLCJQJSXIZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-9-7-15(14-11(16)10(9)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,16).
What are the key properties of 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one?
2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one has a molecular weight of 257.12 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one is sourced from PubChem (CID 18991295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).