iridium;1H-pyridazin-6-one

C4H4IrN2O — CID 161119742

IUPACiridium;1H-pyridazin-6-one
SMILESO=c1cccn[nH]1.[Ir]
InChIInChI=1S/C4H4N2O.Ir/c7-4-2-1-3-5-6-4;/h1-3H,(H,6,7);
InChIKeyUKUGJVYKOHOLTF-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.23
Rot. Bonds

About iridium;1H-pyridazin-6-one

iridium;1H-pyridazin-6-one (PubChem CID 161119742) has the molecular formula C4H4IrN2O and a molecular weight of 288.31 g/mol. Its IUPAC name is iridium;1H-pyridazin-6-one.

Molecular Properties

Compound Nameiridium;1H-pyridazin-6-one
PubChem CID161119742
Molecular FormulaC4H4IrN2O
Molecular Weight288.31 g/mol
Exact Mass289.00
IUPAC Nameiridium;1H-pyridazin-6-one
SMILESO=c1cccn[nH]1.[Ir]
InChIInChI=1S/C4H4N2O.Ir/c7-4-2-1-3-5-6-4;/h1-3H,(H,6,7);
InChIKeyUKUGJVYKOHOLTF-UHFFFAOYSA-N
XLogP-0.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of iridium;1H-pyridazin-6-one?
The IUPAC name of iridium;1H-pyridazin-6-one (CID 161119742) is iridium;1H-pyridazin-6-one.
What is the SMILES notation for iridium;1H-pyridazin-6-one?
The canonical SMILES for iridium;1H-pyridazin-6-one is O=c1cccn[nH]1.[Ir].
What is the InChIKey of iridium;1H-pyridazin-6-one?
The InChIKey is UKUGJVYKOHOLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.Ir/c7-4-2-1-3-5-6-4;/h1-3H,(H,6,7);.
What are the key properties of iridium;1H-pyridazin-6-one?
iridium;1H-pyridazin-6-one has a molecular weight of 288.31 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1H-pyridazin-6-one is sourced from PubChem (CID 161119742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).