5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one

C9H11IN4O2 — CID 114553333

IUPAC5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one
SMILESO=C1NCCN1CCn1ncc(I)cc1=O
InChIInChI=1S/C9H11IN4O2/c10-7-5-8(15)14(12-6-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16)
InChIKeyFOXUXDLJBWKLKR-UHFFFAOYSA-N
MW334.12 g/mol
LogP-0.13
Rot. Bonds3

About 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one

5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one (PubChem CID 114553333) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one
PubChem CID114553333
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one
SMILESO=C1NCCN1CCn1ncc(I)cc1=O
InChIInChI=1S/C9H11IN4O2/c10-7-5-8(15)14(12-6-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16)
InChIKeyFOXUXDLJBWKLKR-UHFFFAOYSA-N
XLogP-0.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 5-0.13
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 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one (CID 114553333) is 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one is O=C1NCCN1CCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is FOXUXDLJBWKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-7-5-8(15)14(12-6-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16).
What are the key properties of 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one?
5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 334.12 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 114553333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).