3-ethynylimidazo[1,2-b]pyridazine

C8H5N3 — CID 46838760

IUPAC3-ethynylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2cccnn12
InChIInChI=1S/C8H5N3/c1-2-7-6-9-8-4-3-5-10-11(7)8/h1,3-6H
InChIKeyVYOHSFQVMLAURO-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.71
Rot. Bonds

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

3-ethynylimidazo[1,2-b]pyridazine (PubChem CID 46838760) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-ethynylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-ethynylimidazo[1,2-b]pyridazine
PubChem CID46838760
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name3-ethynylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2cccnn12
InChIInChI=1S/C8H5N3/c1-2-7-6-9-8-4-3-5-10-11(7)8/h1,3-6H
InChIKeyVYOHSFQVMLAURO-UHFFFAOYSA-N
XLogP0.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
Imidazo(1,2-b)pyridazine
CID 136599
(Imidazo(1,2-b)pyridazin-6-yl)hydrazine
CID 322295
Imidazo(1,2-b)pyridazine, 6-chloro-
CID 138828
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
6-Chloro-2,8-dimethyl-imidazo[1,2-b]pyridazine
CID 12248340
3-Bromoimidazo(1,2-b)pyridazine
CID 12872319
7-Chloroimidazo(1,2-b)pyridazine
CID 67980259
3-Methylpyrrolo[2,1-c][1,2,4]triazine
CID 58661804
[1,2,4]Triazolo[1,5-b]pyridazine
CID 12212523
Imidazo[1,2-b]pyridazin-6-amine
CID 10534704
6-Chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine
CID 10965562

Frequently Asked Questions

What is the IUPAC name of 3-ethynylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-ethynylimidazo[1,2-b]pyridazine (CID 46838760) is 3-ethynylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-ethynylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-ethynylimidazo[1,2-b]pyridazine is C#Cc1cnc2cccnn12.
What is the InChIKey of 3-ethynylimidazo[1,2-b]pyridazine?
The InChIKey is VYOHSFQVMLAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-7-6-9-8-4-3-5-10-11(7)8/h1,3-6H.
What are the key properties of 3-ethynylimidazo[1,2-b]pyridazine?
3-ethynylimidazo[1,2-b]pyridazine has a molecular weight of 143.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46838760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).