3-deuterioimidazo[1,2-b]pyridazine

C6H5N3 — CID 134975532

IUPAC3-deuterioimidazo[1,2-b]pyridazine
SMILES[2H]c1cnc2cccnn12
InChIInChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H/i5D
InChIKeyVTVRXITWWZGKHV-UICOGKGYSA-N
MW120.13 g/mol
LogP0.73
Rot. Bonds

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

3-deuterioimidazo[1,2-b]pyridazine (PubChem CID 134975532) has the molecular formula C6H5N3 and a molecular weight of 120.13 g/mol. Its IUPAC name is 3-deuterioimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-deuterioimidazo[1,2-b]pyridazine
PubChem CID134975532
Molecular FormulaC6H5N3
Molecular Weight120.13 g/mol
Exact Mass120.05
IUPAC Name3-deuterioimidazo[1,2-b]pyridazine
SMILES[2H]c1cnc2cccnn12
InChIInChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H/i5D
InChIKeyVTVRXITWWZGKHV-UICOGKGYSA-N
XLogP0.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-deuterioimidazo[1,2-b]pyridazine?
The IUPAC name of 3-deuterioimidazo[1,2-b]pyridazine (CID 134975532) is 3-deuterioimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-deuterioimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-deuterioimidazo[1,2-b]pyridazine is [2H]c1cnc2cccnn12.
What is the InChIKey of 3-deuterioimidazo[1,2-b]pyridazine?
The InChIKey is VTVRXITWWZGKHV-UICOGKGYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H/i5D.
What are the key properties of 3-deuterioimidazo[1,2-b]pyridazine?
3-deuterioimidazo[1,2-b]pyridazine has a molecular weight of 120.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterioimidazo[1,2-b]pyridazine is sourced from PubChem (CID 134975532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).