4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one

C10H12Cl2N2O2 — CID 1479848

IUPAC4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
SMILESCC(C)(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,3)7(15)5-14-9(16)8(12)6(11)4-13-14/h4H,5H2,1-3H3
InChIKeyWKYFPTRSCBXGPY-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.17
Rot. Bonds2

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

4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one (PubChem CID 1479848) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
PubChem CID1479848
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
SMILESCC(C)(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,3)7(15)5-14-9(16)8(12)6(11)4-13-14/h4H,5H2,1-3H3
InChIKeyWKYFPTRSCBXGPY-UHFFFAOYSA-N
XLogP2.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone
CID 365844
4,5-Dichloro-2-(2-oxopropyl)pyridazin-3-one
CID 5260661
4,5-Dichloro-2-(3-oxobutan-2-yl)pyridazin-3-one
CID 71189159
4,5-Dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
CID 86127583
4-chloro-5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
CID 1490411
4,5-Dichloro-2-(3-methylbutyl)pyridazin-3-one
CID 60656166
4,5-Dichloro-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 91636361
4,5-Dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 102974987
4-(4,5-Dichloro-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 115659142
4,5-Dichloro-2-(2-methylbutyl)pyridazin-3-one
CID 115687840
4,5-Dichloro-2-(3,3-dimethylbutan-2-yl)pyridazin-3-one
CID 130826175

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one (CID 1479848) is 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one is CC(C)(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The InChIKey is WKYFPTRSCBXGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-10(2,3)7(15)5-14-9(16)8(12)6(11)4-13-14/h4H,5H2,1-3H3.
What are the key properties of 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one has a molecular weight of 263.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 1479848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).