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

C11H8Cl4N4O2 — CID 10809144

IUPAC4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H8Cl4N4O2/c12-6-4-16-18(10(20)8(6)14)2-1-3-19-11(21)9(15)7(13)5-17-19/h4-5H,1-3H2
InChIKeyFNSJVMQYMIZQEO-UHFFFAOYSA-N
MW370.02 g/mol
LogP2.50
Rot. Bonds4

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

4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one (PubChem CID 10809144) has the molecular formula C11H8Cl4N4O2 and a molecular weight of 370.02 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one
PubChem CID10809144
Molecular FormulaC11H8Cl4N4O2
Molecular Weight370.02 g/mol
Exact Mass367.94
IUPAC Name4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H8Cl4N4O2/c12-6-4-16-18(10(20)8(6)14)2-1-3-19-11(21)9(15)7(13)5-17-19/h4-5H,1-3H2
InChIKeyFNSJVMQYMIZQEO-UHFFFAOYSA-N
XLogP2.50
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.02
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
2-Butan-2-yl-4,5-dichloropyridazin-3-one
CID 61272264
4,5-Dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
CID 86127583
5-Chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one
CID 160871949
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-[2-(4,5-dichloro-6-oxopyridazin-1-yl)ethyl]pyridazin-3-one
CID 11792558

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one (CID 10809144) is 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is FNSJVMQYMIZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl4N4O2/c12-6-4-16-18(10(20)8(6)14)2-1-3-19-11(21)9(15)7(13)5-17-19/h4-5H,1-3H2.
What are the key properties of 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one?
4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 370.02 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 10809144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).