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

C8H10IN3O2 — CID 114553376

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-11(2)8(14)5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3
InChIKeyWNBSXUJBZGPTTC-UHFFFAOYSA-N
MW307.09 g/mol
LogP-0.06
Rot. Bonds2

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

2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 114553376) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID114553376
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-11(2)8(14)5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3
InChIKeyWNBSXUJBZGPTTC-UHFFFAOYSA-N
XLogP-0.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(Dimethylamino)ethyl)pyridazin-3(2H)-one
CID 25181395
N,N-dimethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 130638489
5-Iodo-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170092839
5-Iodo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 113600131
2-Butan-2-yl-5-iodopyridazin-3-one
CID 114553310
2-Butyl-5-iodopyridazin-3-one
CID 114553313
N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553322
2-(4-Iodo-6-oxopyridazin-1-yl)propanamide
CID 114553330
N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553337
N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553350
N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide
CID 114553358
2-[2-(Dimethylamino)ethyl]-5-iodopyridazin-3-one
CID 114553369

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 114553376) is 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is WNBSXUJBZGPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-11(2)8(14)5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3.
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 307.09 g/mol, XLogP of -0.06, 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-dimethylacetamide is sourced from PubChem (CID 114553376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).