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

C12H10Cl4N4O2 — CID 10620012

IUPAC4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H10Cl4N4O2/c13-7-5-17-19(11(21)9(7)15)3-1-2-4-20-12(22)10(16)8(14)6-18-20/h5-6H,1-4H2
InChIKeyZSKANCJKWZGJFD-UHFFFAOYSA-N
MW384.05 g/mol
LogP2.89
Rot. Bonds5

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

4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one (PubChem CID 10620012) has the molecular formula C12H10Cl4N4O2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one
PubChem CID10620012
Molecular FormulaC12H10Cl4N4O2
Molecular Weight384.05 g/mol
Exact Mass381.96
IUPAC Name4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H10Cl4N4O2/c13-7-5-17-19(11(21)9(7)15)3-1-2-4-20-12(22)10(16)8(14)6-18-20/h5-6H,1-4H2
InChIKeyZSKANCJKWZGJFD-UHFFFAOYSA-N
XLogP2.89
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.05
LogP ≤ 52.89
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
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
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-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
4,5-Dichloro-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386472
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-(cyclopropylmethyl)pyridazin-3(2h)-one
CID 19881234
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one (CID 10620012) is 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one?
The InChIKey is ZSKANCJKWZGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4N4O2/c13-7-5-17-19(11(21)9(7)15)3-1-2-4-20-12(22)10(16)8(14)6-18-20/h5-6H,1-4H2.
What are the key properties of 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one?
4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one has a molecular weight of 384.05 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one is sourced from PubChem (CID 10620012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).