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

C11H16Cl2N2O — CID 115582849

IUPAC4,5-dichloro-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H16Cl2N2O/c1-2-3-4-5-6-7-15-11(16)10(13)9(12)8-14-15/h8H,2-7H2,1H3
InChIKeyCDZRWEUTCBOQIE-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.52
Rot. Bonds6

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

4,5-dichloro-2-heptylpyridazin-3-one (PubChem CID 115582849) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 4,5-dichloro-2-heptylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-heptylpyridazin-3-one
PubChem CID115582849
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name4,5-dichloro-2-heptylpyridazin-3-one
SMILESCCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H16Cl2N2O/c1-2-3-4-5-6-7-15-11(16)10(13)9(12)8-14-15/h8H,2-7H2,1H3
InChIKeyCDZRWEUTCBOQIE-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.52
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
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
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-N,N,N-triethylethanaminium
CID 1040543
4-chloro-2-hexyl-5-hydroxy-3(2H)-pyridazinone
CID 54682078
4-chloro-5-hydroxy-2-octyl-3(2H)-pyridazinone
CID 54704497
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-cyclopentylpyridazin-3-one
CID 13881555
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-heptylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-heptylpyridazin-3-one (CID 115582849) is 4,5-dichloro-2-heptylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-heptylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-heptylpyridazin-3-one is CCCCCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-heptylpyridazin-3-one?
The InChIKey is CDZRWEUTCBOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-2-3-4-5-6-7-15-11(16)10(13)9(12)8-14-15/h8H,2-7H2,1H3.
What are the key properties of 4,5-dichloro-2-heptylpyridazin-3-one?
4,5-dichloro-2-heptylpyridazin-3-one has a molecular weight of 263.17 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-heptylpyridazin-3-one is sourced from PubChem (CID 115582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).