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

C7H8Cl2N2O2 — CID 66864935

IUPAC4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyVHRFJGXKUVKVMA-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.20
Rot. Bonds3

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

4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 66864935) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID66864935
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyVHRFJGXKUVKVMA-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 102974987
4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
CID 78761108
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114446133
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
methyl 2-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoate
CID 114436175

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one (CID 66864935) is 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is VHRFJGXKUVKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3.
What are the key properties of 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one?
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 223.06 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 66864935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).