4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one

C8H8Cl2N2O — CID 139696792

IUPAC4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
SMILESCC(C)=Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3-4H,1-2H3
InChIKeyCBFIDIRLCOYVSY-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.43
Rot. Bonds1

About 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one

4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one (PubChem CID 139696792) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
PubChem CID139696792
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
SMILESCC(C)=Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3-4H,1-2H3
InChIKeyCBFIDIRLCOYVSY-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4-Chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696795
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4-Chloro-2,5-dimethylpyridazin-3-one
CID 59803331
4,5-dichloro-2-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienyl]pyridazin-3-one
CID 118135790
4,5-dichloro-2-[(1Z,3E)-2,4-dichlorohexa-1,3,5-trienyl]pyridazin-3-one
CID 118136026
4,5-Dichloro-2-methylpyridazin-3-one;hydrochloride
CID 121472658
4-Chloro-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 151182962
5-Chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one
CID 160871949
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
2-Methyl-4,5-dichloro-3-pyridazinone-d3
CID 169148338

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one (CID 139696792) is 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one is CC(C)=Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one?
The InChIKey is CBFIDIRLCOYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3-4H,1-2H3.
What are the key properties of 4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one?
4,5-dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one has a molecular weight of 219.07 g/mol, XLogP of 2.43, 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-methylprop-1-enyl)pyridazin-3-one is sourced from PubChem (CID 139696792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).