(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide

C5H6IN3O2 — CID 163915584

IUPAC(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide
SMILES[I-].[NH3+]C(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H5N3O2.HI/c6-5(10)3-1-4(9)8-7-2-3;/h1-2H,(H2,6,10)(H,8,9);1H
InChIKeyJMQRADDKKUHJCB-UHFFFAOYSA-N
MW267.03 g/mol
LogP-4.84
Rot. Bonds1

About (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide

(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide (PubChem CID 163915584) has the molecular formula C5H6IN3O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide.

Molecular Properties

Compound Name(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide
PubChem CID163915584
Molecular FormulaC5H6IN3O2
Molecular Weight267.03 g/mol
Exact Mass266.95
IUPAC Name(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide
SMILES[I-].[NH3+]C(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H5N3O2.HI/c6-5(10)3-1-4(9)8-7-2-3;/h1-2H,(H2,6,10)(H,8,9);1H
InChIKeyJMQRADDKKUHJCB-UHFFFAOYSA-N
XLogP-4.84
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 5-4.84
H-Bond Donors ≤ 52
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-oxo-1H-pyridazine-4-carbonyl)azanium iodide?
The IUPAC name of (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide (CID 163915584) is (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide.
What is the SMILES notation for (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide?
The canonical SMILES for (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide is [I-].[NH3+]C(=O)c1cn[nH]c(=O)c1.
What is the InChIKey of (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide?
The InChIKey is JMQRADDKKUHJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2.HI/c6-5(10)3-1-4(9)8-7-2-3;/h1-2H,(H2,6,10)(H,8,9);1H.
What are the key properties of (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide?
(6-oxo-1H-pyridazine-4-carbonyl)azanium iodide has a molecular weight of 267.03 g/mol, XLogP of -4.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyridazine-4-carbonyl)azanium iodide is sourced from PubChem (CID 163915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).