3-benzyl-4,5-dichloro-1H-pyridazin-6-one

C11H8Cl2N2O — CID 70432485

IUPAC3-benzyl-4,5-dichloro-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-9-8(14-15-11(16)10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)
InChIKeySDALVEJYGFKKAT-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.67
Rot. Bonds2

About 3-benzyl-4,5-dichloro-1H-pyridazin-6-one

3-benzyl-4,5-dichloro-1H-pyridazin-6-one (PubChem CID 70432485) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-benzyl-4,5-dichloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-benzyl-4,5-dichloro-1H-pyridazin-6-one
PubChem CID70432485
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-benzyl-4,5-dichloro-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-9-8(14-15-11(16)10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)
InChIKeySDALVEJYGFKKAT-UHFFFAOYSA-N
XLogP2.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-dichloro-1H-pyridazin-6-one?
The IUPAC name of 3-benzyl-4,5-dichloro-1H-pyridazin-6-one (CID 70432485) is 3-benzyl-4,5-dichloro-1H-pyridazin-6-one.
What is the SMILES notation for 3-benzyl-4,5-dichloro-1H-pyridazin-6-one?
The canonical SMILES for 3-benzyl-4,5-dichloro-1H-pyridazin-6-one is O=c1[nH]nc(Cc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 3-benzyl-4,5-dichloro-1H-pyridazin-6-one?
The InChIKey is SDALVEJYGFKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-9-8(14-15-11(16)10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16).
What are the key properties of 3-benzyl-4,5-dichloro-1H-pyridazin-6-one?
3-benzyl-4,5-dichloro-1H-pyridazin-6-one has a molecular weight of 255.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-dichloro-1H-pyridazin-6-one is sourced from PubChem (CID 70432485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).