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

C10H6Cl4N4O2 — CID 11792558

IUPAC4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H6Cl4N4O2/c11-5-3-15-17(9(19)7(5)13)1-2-18-10(20)8(14)6(12)4-16-18/h3-4H,1-2H2
InChIKeyUNMAYJITAHAUAC-UHFFFAOYSA-N
MW356.00 g/mol
LogP2.11
Rot. Bonds3

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

4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 11792558) has the molecular formula C10H6Cl4N4O2 and a molecular weight of 356.00 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one
PubChem CID11792558
Molecular FormulaC10H6Cl4N4O2
Molecular Weight356.00 g/mol
Exact Mass353.92
IUPAC Name4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H6Cl4N4O2/c11-5-3-15-17(9(19)7(5)13)1-2-18-10(20)8(14)6(12)4-16-18/h3-4H,1-2H2
InChIKeyUNMAYJITAHAUAC-UHFFFAOYSA-N
XLogP2.11
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(diethylamino)ethyl)-, monohydrochloride
CID 120473
1,2-Bis(4,5-dichloro-6-oxo-pyridazin-1-yl)ethane-1,2-dione
CID 362212
4,5-dichloro-2-[2-(diethylamino)ethyl]-3(2H)-pyridazinone
CID 120474
2-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-N,N,N-triethylethanaminium
CID 1040543
2-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetamide
CID 2585140
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 8862131
4,5-Dichloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 12398650
4,5-dichloro-2-(2-(dimethylamino)ethyl)pyridazin-3(2H)-one hydrochloride
CID 12398651
4,5-Dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one
CID 10573705
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one (CID 11792558) is 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is UNMAYJITAHAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4N4O2/c11-5-3-15-17(9(19)7(5)13)1-2-18-10(20)8(14)6(12)4-16-18/h3-4H,1-2H2.
What are the key properties of 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 356.00 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 11792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).