5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one

C10H11IN4O2 — CID 114553555

IUPAC5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
SMILESCCCc1nc(Cn2ncc(I)cc2=O)no1
InChIInChI=1S/C10H11IN4O2/c1-2-3-9-13-8(14-17-9)6-15-10(16)4-7(11)5-12-15/h4-5H,2-3,6H2,1H3
InChIKeyGVQYHUWOCLWWLG-UHFFFAOYSA-N
MW346.13 g/mol
LogP1.23
Rot. Bonds4

About 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one

5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one (PubChem CID 114553555) has the molecular formula C10H11IN4O2 and a molecular weight of 346.13 g/mol. Its IUPAC name is 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
PubChem CID114553555
Molecular FormulaC10H11IN4O2
Molecular Weight346.13 g/mol
Exact Mass345.99
IUPAC Name5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
SMILESCCCc1nc(Cn2ncc(I)cc2=O)no1
InChIInChI=1S/C10H11IN4O2/c1-2-3-9-13-8(14-17-9)6-15-10(16)4-7(11)5-12-15/h4-5H,2-3,6H2,1H3
InChIKeyGVQYHUWOCLWWLG-UHFFFAOYSA-N
XLogP1.23
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
CID 114553585
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one
CID 114553507
2-(ethoxymethyl)-5-iodopyridazin-3-one
CID 114553389
5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 83193478
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61495391
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66408352
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
5-iodo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridazin-3-one
CID 114553671
3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116622908
7-bromo-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961579
3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116621916

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one (CID 114553555) is 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one is CCCc1nc(Cn2ncc(I)cc2=O)no1.
What is the InChIKey of 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is GVQYHUWOCLWWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O2/c1-2-3-9-13-8(14-17-9)6-15-10(16)4-7(11)5-12-15/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one?
5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 346.13 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 114553555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).