5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

C10H15IN2O3 — CID 103182082

IUPAC5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyROUFXFMSQYVOLK-UHFFFAOYSA-N
MW338.15 g/mol
LogP0.90
Rot. Bonds7

About 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (PubChem CID 103182082) has the molecular formula C10H15IN2O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
PubChem CID103182082
Molecular FormulaC10H15IN2O3
Molecular Weight338.15 g/mol
Exact Mass338.01
IUPAC Name5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyROUFXFMSQYVOLK-UHFFFAOYSA-N
XLogP0.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-[2-(3-methoxypropoxy)ethyl]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

Related Compounds

5-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
2-(2-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
5-chloro-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 66866737
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
5-Iodo-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411698
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (CID 103182082) is 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is COCCCOCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The InChIKey is ROUFXFMSQYVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3.
What are the key properties of 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one has a molecular weight of 338.15 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103182082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).