4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one

C9H12Cl2N2O — CID 86127583

IUPAC4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
SMILESCC(C)(C)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,3)5-13-8(14)7(11)6(10)4-12-13/h4H,5H2,1-3H3
InChIKeyZLZOUXZBUIZYMV-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.60
Rot. Bonds1

About 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one

4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one (PubChem CID 86127583) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
PubChem CID86127583
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
SMILESCC(C)(C)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,3)5-13-8(14)7(11)6(10)4-12-13/h4H,5H2,1-3H3
InChIKeyZLZOUXZBUIZYMV-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
2-Tert-butyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CID 2782225
4,5-Dichloro-2-(3,3-dimethyl-2-oxobutyl)-2,3-dihydropyridazin-3-one
CID 1479848
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one
CID 247944
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(diethylamino)ethyl)-, monohydrochloride
CID 120473
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone
CID 365844
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-dichloro-2-[2-(diethylamino)ethyl]-3(2H)-pyridazinone
CID 120474
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
4,5-Dichloro-2-(2-fluoroethyl)pyridazin-3-one
CID 115659144

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one (CID 86127583) is 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one is CC(C)(C)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one?
The InChIKey is ZLZOUXZBUIZYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-9(2,3)5-13-8(14)7(11)6(10)4-12-13/h4H,5H2,1-3H3.
What are the key properties of 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one?
4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one has a molecular weight of 235.11 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one is sourced from PubChem (CID 86127583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).