4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one

C9H12Cl2N2O2 — CID 168963015

IUPAC4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one
SMILESCCCC(OC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-3-4-7(15-2)13-9(14)8(11)6(10)5-12-13/h5,7H,3-4H2,1-2H3
InChIKeyRPXJLHJZKGTBMA-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.50
Rot. Bonds4

About 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one

4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one (PubChem CID 168963015) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one
PubChem CID168963015
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one
SMILESCCCC(OC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-3-4-7(15-2)13-9(14)8(11)6(10)5-12-13/h5,7H,3-4H2,1-2H3
InChIKeyRPXJLHJZKGTBMA-UHFFFAOYSA-N
XLogP2.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
Ethyl 3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoate
CID 366144
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-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
CID 10729262
4,5-dichloro-2-(ethoxymethyl)-3(2H)-pyridazinone
CID 13270700
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
4,5-Dichloro-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 115590557
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-dichloro-2-methoxymethyl-2H-pyridazin-3-one
CID 12351834
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one (CID 168963015) is 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one is CCCC(OC)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one?
The InChIKey is RPXJLHJZKGTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-3-4-7(15-2)13-9(14)8(11)6(10)5-12-13/h5,7H,3-4H2,1-2H3.
What are the key properties of 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one?
4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one has a molecular weight of 251.11 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(1-methoxybutyl)pyridazin-3-one is sourced from PubChem (CID 168963015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).