4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one

C8H11ClN2O3 — CID 66865809

IUPAC4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C8H11ClN2O3/c1-13-4-3-11-8(12)7(9)6(14-2)5-10-11/h5H,3-4H2,1-2H3
InChIKeyTYVRDRSFXVJJCG-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.55
Rot. Bonds4

About 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 66865809) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID66865809
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C8H11ClN2O3/c1-13-4-3-11-8(12)7(9)6(14-2)5-10-11/h5H,3-4H2,1-2H3
InChIKeyTYVRDRSFXVJJCG-UHFFFAOYSA-N
XLogP0.55
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one (CID 66865809) is 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(OC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is TYVRDRSFXVJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c1-13-4-3-11-8(12)7(9)6(14-2)5-10-11/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 218.64 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 66865809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).