2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide

C9H12IN3O2 — CID 114553549

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1ncc(I)cc1=O
InChIInChI=1S/C9H12IN3O2/c1-6(9(15)12(2)3)13-8(14)4-7(10)5-11-13/h4-6H,1-3H3
InChIKeyARISBXKEYFKUDQ-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.50
Rot. Bonds2

About 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide

2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114553549) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
PubChem CID114553549
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1ncc(I)cc1=O
InChIInChI=1S/C9H12IN3O2/c1-6(9(15)12(2)3)13-8(14)4-7(10)5-11-13/h4-6H,1-3H3
InChIKeyARISBXKEYFKUDQ-UHFFFAOYSA-N
XLogP0.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide 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-propan-2-ylpyridazin-3-one
CID 114553312
5-Iodo-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170092839
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
2-(4-iodo-6-oxopyridazin-1-yl)-N-pentylpropanamide
CID 113600126
5-Iodo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 113600131
2-(4-iodo-6-oxopyridazin-1-yl)-N-pentan-3-ylpropanamide
CID 113600156
2-Butan-2-yl-5-iodopyridazin-3-one
CID 114553310
N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553322
2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
CID 114553324
2-(4-Iodo-6-oxopyridazin-1-yl)propanamide
CID 114553330
2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide
CID 114553343
N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553350

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide (CID 114553549) is 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is ARISBXKEYFKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-6(9(15)12(2)3)13-8(14)4-7(10)5-11-13/h4-6H,1-3H3.
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 321.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).