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

C8H10Cl2N2O3 — CID 22358184

IUPAC4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one
SMILESCOCCOCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O3/c1-14-2-3-15-5-12-8(13)7(10)6(9)4-11-12/h4H,2-3,5H2,1H3
InChIKeyUVYAGZZTNUAISW-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.17
Rot. Bonds5

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

4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one (PubChem CID 22358184) has the molecular formula C8H10Cl2N2O3 and a molecular weight of 253.08 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one
PubChem CID22358184
Molecular FormulaC8H10Cl2N2O3
Molecular Weight253.08 g/mol
Exact Mass252.01
IUPAC Name4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one
SMILESCOCCOCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O3/c1-14-2-3-15-5-12-8(13)7(10)6(9)4-11-12/h4H,2-3,5H2,1H3
InChIKeyUVYAGZZTNUAISW-UHFFFAOYSA-N
XLogP1.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one (CID 22358184) is 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one is COCCOCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one?
The InChIKey is UVYAGZZTNUAISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O3/c1-14-2-3-15-5-12-8(13)7(10)6(9)4-11-12/h4H,2-3,5H2,1H3.
What are the key properties of 4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one?
4,5-dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one has a molecular weight of 253.08 g/mol, XLogP of 1.17, 5 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-methoxyethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 22358184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).