4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one

C10H14Cl2N2O3 — CID 103411697

IUPAC4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
SMILESCOCCOCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-5-6-17-4-2-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyZOUYXBKEAVURAY-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.60
Rot. Bonds7

About 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one

4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one (PubChem CID 103411697) has the molecular formula C10H14Cl2N2O3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
PubChem CID103411697
Molecular FormulaC10H14Cl2N2O3
Molecular Weight281.14 g/mol
Exact Mass280.04
IUPAC Name4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
SMILESCOCCOCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-5-6-17-4-2-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyZOUYXBKEAVURAY-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

Ethyl 3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoate
CID 366144
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-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 115590557
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694
4,5-Dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one
CID 22358184
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(2-methoxy-ethyl)-2H-pyridazin-3-one
CID 66864935
2-(Butoxymethyl)-4,5-dichloropyridazin-3-one
CID 70995502
4-Chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one
CID 152778765

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one (CID 103411697) is 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one is COCCOCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one?
The InChIKey is ZOUYXBKEAVURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3/c1-16-5-6-17-4-2-3-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3.
What are the key properties of 4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one?
4,5-dichloro-2-[3-(2-methoxyethoxy)propyl]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-[3-(2-methoxyethoxy)propyl]pyridazin-3-one is sourced from PubChem (CID 103411697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).