4,5-dichloro-2-hexylpyridazin-3-one

C10H14Cl2N2O — CID 13270698

IUPAC4,5-dichloro-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyBMNZUMKJMOSJJI-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.13
Rot. Bonds5

About 4,5-dichloro-2-hexylpyridazin-3-one

4,5-dichloro-2-hexylpyridazin-3-one (PubChem CID 13270698) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,5-dichloro-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-hexylpyridazin-3-one
PubChem CID13270698
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name4,5-dichloro-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyBMNZUMKJMOSJJI-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
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
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
CID 3063361
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-(1-oxopentyl)-3(2H)-pyridazinone
CID 3025881
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-piperidin-1-ylethyl)pyridazin-3-one
CID 3063362
4,5-Dichloro-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386472

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-hexylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-hexylpyridazin-3-one (CID 13270698) is 4,5-dichloro-2-hexylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-hexylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-hexylpyridazin-3-one is CCCCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-hexylpyridazin-3-one?
The InChIKey is BMNZUMKJMOSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3.
What are the key properties of 4,5-dichloro-2-hexylpyridazin-3-one?
4,5-dichloro-2-hexylpyridazin-3-one has a molecular weight of 249.14 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-hexylpyridazin-3-one is sourced from PubChem (CID 13270698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).