6-iodopyridazin-3-amine

C4H4IN3 — CID 10867834

IUPAC6-iodopyridazin-3-amine
SMILESNc1ccc(I)nn1
InChIInChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKeyQHEUBRHRIJMZOR-UHFFFAOYSA-N
MW221.00 g/mol
LogP0.66
Rot. Bonds

About 6-iodopyridazin-3-amine

6-iodopyridazin-3-amine (PubChem CID 10867834) has the molecular formula C4H4IN3 and a molecular weight of 221.00 g/mol. Its IUPAC name is 6-iodopyridazin-3-amine.

Molecular Properties

Compound Name6-iodopyridazin-3-amine
PubChem CID10867834
Molecular FormulaC4H4IN3
Molecular Weight221.00 g/mol
Exact Mass220.94
IUPAC Name6-iodopyridazin-3-amine
SMILESNc1ccc(I)nn1
InChIInChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKeyQHEUBRHRIJMZOR-UHFFFAOYSA-N
XLogP0.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 50.66
H-Bond Donors ≤ 51
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 6-iodopyridazin-3-amine?
The IUPAC name of 6-iodopyridazin-3-amine (CID 10867834) is 6-iodopyridazin-3-amine.
What is the SMILES notation for 6-iodopyridazin-3-amine?
The canonical SMILES for 6-iodopyridazin-3-amine is Nc1ccc(I)nn1.
What is the InChIKey of 6-iodopyridazin-3-amine?
The InChIKey is QHEUBRHRIJMZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8).
What are the key properties of 6-iodopyridazin-3-amine?
6-iodopyridazin-3-amine has a molecular weight of 221.00 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodopyridazin-3-amine is sourced from PubChem (CID 10867834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).