4,5-diiodo-2-methylpyridazin-3-one

C5H4I2N2O — CID 71418068

IUPAC4,5-diiodo-2-methylpyridazin-3-one
SMILESCn1ncc(I)c(I)c1=O
InChIInChI=1S/C5H4I2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
InChIKeyIYPWPMLVROBDLH-UHFFFAOYSA-N
MW361.91 g/mol
LogP0.99
Rot. Bonds

About 4,5-diiodo-2-methylpyridazin-3-one

4,5-diiodo-2-methylpyridazin-3-one (PubChem CID 71418068) has the molecular formula C5H4I2N2O and a molecular weight of 361.91 g/mol. Its IUPAC name is 4,5-diiodo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4,5-diiodo-2-methylpyridazin-3-one
PubChem CID71418068
Molecular FormulaC5H4I2N2O
Molecular Weight361.91 g/mol
Exact Mass361.84
IUPAC Name4,5-diiodo-2-methylpyridazin-3-one
SMILESCn1ncc(I)c(I)c1=O
InChIInChI=1S/C5H4I2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
InChIKeyIYPWPMLVROBDLH-UHFFFAOYSA-N
XLogP0.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 50.99
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-methylpyridazin-3-one?
The IUPAC name of 4,5-diiodo-2-methylpyridazin-3-one (CID 71418068) is 4,5-diiodo-2-methylpyridazin-3-one.
What is the SMILES notation for 4,5-diiodo-2-methylpyridazin-3-one?
The canonical SMILES for 4,5-diiodo-2-methylpyridazin-3-one is Cn1ncc(I)c(I)c1=O.
What is the InChIKey of 4,5-diiodo-2-methylpyridazin-3-one?
The InChIKey is IYPWPMLVROBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4I2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3.
What are the key properties of 4,5-diiodo-2-methylpyridazin-3-one?
4,5-diiodo-2-methylpyridazin-3-one has a molecular weight of 361.91 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-2-methylpyridazin-3-one is sourced from PubChem (CID 71418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).