4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one

C13H12Cl2N2O — CID 2585288

IUPAC4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
InChIKeyLQCNMWUGGBGOSX-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.22
Rot. Bonds2

About 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one

4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (PubChem CID 2585288) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
PubChem CID2585288
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
InChIKeyLQCNMWUGGBGOSX-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (CID 2585288) is 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1.
What is the InChIKey of 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The InChIKey is LQCNMWUGGBGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one has a molecular weight of 283.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 2585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).