3-nitroimidazo[1,2-b]pyridazine

C6H4N4O2 — CID 16740706

IUPAC3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2cccnn12
InChIInChI=1S/C6H4N4O2/c11-10(12)6-4-7-5-2-1-3-8-9(5)6/h1-4H
InChIKeyYWTZZJSJUVSJKG-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.64
Rot. Bonds1

About 3-nitroimidazo[1,2-b]pyridazine

3-nitroimidazo[1,2-b]pyridazine (PubChem CID 16740706) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 3-nitroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-nitroimidazo[1,2-b]pyridazine
PubChem CID16740706
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2cccnn12
InChIInChI=1S/C6H4N4O2/c11-10(12)6-4-7-5-2-1-3-8-9(5)6/h1-4H
InChIKeyYWTZZJSJUVSJKG-UHFFFAOYSA-N
XLogP0.64
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitroimidazo[1,2-b]pyridazine?
The IUPAC name of 3-nitroimidazo[1,2-b]pyridazine (CID 16740706) is 3-nitroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-nitroimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-nitroimidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2cccnn12.
What is the InChIKey of 3-nitroimidazo[1,2-b]pyridazine?
The InChIKey is YWTZZJSJUVSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-10(12)6-4-7-5-2-1-3-8-9(5)6/h1-4H.
What are the key properties of 3-nitroimidazo[1,2-b]pyridazine?
3-nitroimidazo[1,2-b]pyridazine has a molecular weight of 164.12 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 16740706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).