3-amino-6-chloropyridazine-4-carboximidoyl iodide

C5H4ClIN4 — CID 130331618

IUPAC3-amino-6-chloropyridazine-4-carboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(Cl)nnc1N
InChIInChI=1S/C5H4ClIN4/c6-3-1-2(4(7)8)5(9)11-10-3/h1,8H,(H2,9,11)/b8-4-
InChIKeyOHFJCRLLADKPIO-YWEYNIOJSA-N
MW282.47 g/mol
LogP1.47
Rot. Bonds1

About 3-amino-6-chloropyridazine-4-carboximidoyl iodide

3-amino-6-chloropyridazine-4-carboximidoyl iodide (PubChem CID 130331618) has the molecular formula C5H4ClIN4 and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-amino-6-chloropyridazine-4-carboximidoyl iodide.

Molecular Properties

Compound Name3-amino-6-chloropyridazine-4-carboximidoyl iodide
PubChem CID130331618
Molecular FormulaC5H4ClIN4
Molecular Weight282.47 g/mol
Exact Mass281.92
IUPAC Name3-amino-6-chloropyridazine-4-carboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(Cl)nnc1N
InChIInChI=1S/C5H4ClIN4/c6-3-1-2(4(7)8)5(9)11-10-3/h1,8H,(H2,9,11)/b8-4-
InChIKeyOHFJCRLLADKPIO-YWEYNIOJSA-N
XLogP1.47
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloropyridazine-4-carboximidoyl iodide?
The IUPAC name of 3-amino-6-chloropyridazine-4-carboximidoyl iodide (CID 130331618) is 3-amino-6-chloropyridazine-4-carboximidoyl iodide.
What is the SMILES notation for 3-amino-6-chloropyridazine-4-carboximidoyl iodide?
The canonical SMILES for 3-amino-6-chloropyridazine-4-carboximidoyl iodide is [H]/N=C(\I)c1cc(Cl)nnc1N.
What is the InChIKey of 3-amino-6-chloropyridazine-4-carboximidoyl iodide?
The InChIKey is OHFJCRLLADKPIO-YWEYNIOJSA-N. The full InChI is InChI=1S/C5H4ClIN4/c6-3-1-2(4(7)8)5(9)11-10-3/h1,8H,(H2,9,11)/b8-4-.
What are the key properties of 3-amino-6-chloropyridazine-4-carboximidoyl iodide?
3-amino-6-chloropyridazine-4-carboximidoyl iodide has a molecular weight of 282.47 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloropyridazine-4-carboximidoyl iodide is sourced from PubChem (CID 130331618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).