4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one

C14H14Cl4N4O2 — CID 10573705

IUPAC4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C14H14Cl4N4O2/c15-9-7-19-21(13(23)11(9)17)5-3-1-2-4-6-22-14(24)12(18)10(16)8-20-22/h7-8H,1-6H2
InChIKeyNGCRVYIDCFHXGY-UHFFFAOYSA-N
MW412.10 g/mol
LogP3.67
Rot. Bonds7

About 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one

4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one (PubChem CID 10573705) has the molecular formula C14H14Cl4N4O2 and a molecular weight of 412.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one
PubChem CID10573705
Molecular FormulaC14H14Cl4N4O2
Molecular Weight412.10 g/mol
Exact Mass409.99
IUPAC Name4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C14H14Cl4N4O2/c15-9-7-19-21(13(23)11(9)17)5-3-1-2-4-6-22-14(24)12(18)10(16)8-20-22/h7-8H,1-6H2
InChIKeyNGCRVYIDCFHXGY-UHFFFAOYSA-N
XLogP3.67
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 3063362
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-cyclopentylpyridazin-3-one
CID 13881555
4,5-Dichloro-2-cyclohexylpyridazin-3-one;ethane
CID 144572037
2-(6-Bromohexyl)-4,5-dichloropyridazin-3-one
CID 10496485
4,5-Dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one
CID 10620012
4,5-Dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one
CID 10809144
4,5-Dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one
CID 11792558
4,5-Dichloro-2-octylpyridazin-3-one
CID 12351833
4,5-dichloro-2-pentyl-3(2H)-pyridazinone
CID 13270697
4,5-Dichloro-2-hexylpyridazin-3-one
CID 13270698

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one (CID 10573705) is 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one?
The InChIKey is NGCRVYIDCFHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl4N4O2/c15-9-7-19-21(13(23)11(9)17)5-3-1-2-4-6-22-14(24)12(18)10(16)8-20-22/h7-8H,1-6H2.
What are the key properties of 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one?
4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one has a molecular weight of 412.10 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one is sourced from PubChem (CID 10573705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).