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

C11H17IN2O2 — CID 114553566

IUPAC5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(I)cc1=O
InChIInChI=1S/C11H17IN2O2/c1-9(2)3-5-16-6-4-14-11(15)7-10(12)8-13-14/h7-9H,3-6H2,1-2H3
InChIKeyZHRMDAPXVSEJNZ-UHFFFAOYSA-N
MW336.17 g/mol
LogP1.91
Rot. Bonds6

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

5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (PubChem CID 114553566) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
PubChem CID114553566
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(I)cc1=O
InChIInChI=1S/C11H17IN2O2/c1-9(2)3-5-16-6-4-14-11(15)7-10(12)8-13-14/h7-9H,3-6H2,1-2H3
InChIKeyZHRMDAPXVSEJNZ-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylbutoxy)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-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
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
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-5-iodopyridazin-3-one
CID 114553363
5-Iodo-2-(1-methoxypropan-2-yl)pyridazin-3-one
CID 114553408
5-Iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 114553434
5-Iodo-2-(2-methoxyethyl)pyridazin-3-one
CID 114553498
5-Iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
CID 114553526
5-Iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 114553616
5-Iodo-2-(2-methoxypropyl)pyridazin-3-one
CID 114553632

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (CID 114553566) is 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is CC(C)CCOCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The InChIKey is ZHRMDAPXVSEJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2/c1-9(2)3-5-16-6-4-14-11(15)7-10(12)8-13-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one has a molecular weight of 336.17 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 114553566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).