4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one

C8H10I2N2O — CID 99983580

IUPAC4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(I)c(I)c1=O
InChIInChI=1S/C8H10I2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3,5H,4H2,1-2H3
InChIKeyQUCZFEAQDGGCPO-UHFFFAOYSA-N
MW403.99 g/mol
LogP2.11
Rot. Bonds2

About 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one

4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 99983580) has the molecular formula C8H10I2N2O and a molecular weight of 403.99 g/mol. Its IUPAC name is 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID99983580
Molecular FormulaC8H10I2N2O
Molecular Weight403.99 g/mol
Exact Mass403.89
IUPAC Name4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(I)c(I)c1=O
InChIInChI=1S/C8H10I2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3,5H,4H2,1-2H3
InChIKeyQUCZFEAQDGGCPO-UHFFFAOYSA-N
XLogP2.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one (CID 99983580) is 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(I)c(I)c1=O.
What is the InChIKey of 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is QUCZFEAQDGGCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10I2N2O/c1-5(2)4-12-8(13)7(10)6(9)3-11-12/h3,5H,4H2,1-2H3.
What are the key properties of 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one?
4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 403.99 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 99983580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).