N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide

C8H10IN3O2 — CID 114553337

IUPACN-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCCNC(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-2-10-7(13)5-12-8(14)3-6(9)4-11-12/h3-4H,2,5H2,1H3,(H,10,13)
InChIKeyBHTZOPFMIWTWGY-UHFFFAOYSA-N
MW307.09 g/mol
LogP-0.02
Rot. Bonds3

About N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide

N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (PubChem CID 114553337) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
PubChem CID114553337
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC NameN-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCCNC(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-2-10-7(13)5-12-8(14)3-6(9)4-11-12/h3-4H,2,5H2,1H3,(H,10,13)
InChIKeyBHTZOPFMIWTWGY-UHFFFAOYSA-N
XLogP-0.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (CID 114553337) is N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is CCNC(=O)Cn1ncc(I)cc1=O.
What is the InChIKey of N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The InChIKey is BHTZOPFMIWTWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-2-10-7(13)5-12-8(14)3-6(9)4-11-12/h3-4H,2,5H2,1H3,(H,10,13).
What are the key properties of N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide has a molecular weight of 307.09 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 114553337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).