4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one

C9H12Cl2N2O2 — CID 154508173

IUPAC4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCCl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-4-13-9(14)8(11)7(6-12-13)15-5-3-10/h6H,2-5H2,1H3
InChIKeyXPTGNSLJBVKSDC-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.92
Rot. Bonds5

About 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one

4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one (PubChem CID 154508173) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one
PubChem CID154508173
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCCl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O2/c1-2-4-13-9(14)8(11)7(6-12-13)15-5-3-10/h6H,2-5H2,1H3
InChIKeyXPTGNSLJBVKSDC-UHFFFAOYSA-N
XLogP1.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-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-(2-chloroethoxy)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one (CID 154508173) is 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one is CCCn1ncc(OCCCl)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one?
The InChIKey is XPTGNSLJBVKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-2-4-13-9(14)8(11)7(6-12-13)15-5-3-10/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one?
4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one has a molecular weight of 251.11 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one is sourced from PubChem (CID 154508173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).