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

C10H14IN3O2 — CID 114553322

IUPACN-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O2/c1-10(2,3)13-8(15)6-14-9(16)4-7(11)5-12-14/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyMFHHRCUVWQXOKH-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.76
Rot. Bonds2

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

N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (PubChem CID 114553322) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
PubChem CID114553322
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC NameN-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O2/c1-10(2,3)13-8(15)6-14-9(16)4-7(11)5-12-14/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyMFHHRCUVWQXOKH-UHFFFAOYSA-N
XLogP0.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.76
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-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (CID 114553322) is N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is CC(C)(C)NC(=O)Cn1ncc(I)cc1=O.
What is the InChIKey of N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The InChIKey is MFHHRCUVWQXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-10(2,3)13-8(15)6-14-9(16)4-7(11)5-12-14/h4-5H,6H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide has a molecular weight of 335.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 114553322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).