4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one

C9H12Cl2N2O2 — CID 115646917

IUPAC4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one
SMILESCCOCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-15-5-3-4-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3
InChIKeyCUDAJXJSGYUOLT-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.98
Rot. Bonds5

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

4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one (PubChem CID 115646917) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one
PubChem CID115646917
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one
SMILESCCOCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-15-5-3-4-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3
InChIKeyCUDAJXJSGYUOLT-UHFFFAOYSA-N
XLogP1.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
Ethyl 3-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 70449973
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-(3-chloropropoxy)-2-ethylpyridazin-3-one
CID 13987836
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one (CID 115646917) is 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one is CCOCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one?
The InChIKey is CUDAJXJSGYUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-2-15-5-3-4-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3.
What are the key properties of 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one?
4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one has a molecular weight of 251.11 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-ethoxypropyl)pyridazin-3-one is sourced from PubChem (CID 115646917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).