4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

C10H14Cl2N2O3 — CID 103182079

IUPAC4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyYJTUTELWRBHJBZ-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.60
Rot. Bonds7

About 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (PubChem CID 103182079) has the molecular formula C10H14Cl2N2O3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
PubChem CID103182079
Molecular FormulaC10H14Cl2N2O3
Molecular Weight281.14 g/mol
Exact Mass280.04
IUPAC Name4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyYJTUTELWRBHJBZ-UHFFFAOYSA-N
XLogP1.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethyl-5-morpholino-3(2H)-pyridazinone
CID 2769265
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3049769
4,5-Dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 2585144
4,5-Dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 3049770
Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetate
CID 70449857
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
4,5-dichloro-2-(ethoxymethyl)-3(2H)-pyridazinone
CID 13270700
4,5-Dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114386423
4,5-Dichloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 115584264
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694
4,5-dichloro-2-(2-methoxy-ethyl)-2H-pyridazin-3-one
CID 66864935
4-chloro-2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865809

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (CID 103182079) is 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is COCCCOCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The InChIKey is YJTUTELWRBHJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3.
What are the key properties of 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one has a molecular weight of 281.14 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103182079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).