3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine

C17H15N3 — CID 168942855

IUPAC3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine
SMILESCc1ccc(C)c(C#Cc2cnc3cc(C)cnn23)c1
InChIInChI=1S/C17H15N3/c1-12-4-5-14(3)15(8-12)6-7-16-11-18-17-9-13(2)10-19-20(16)17/h4-5,8-11H,1-3H3
InChIKeyUUUWUZAKWNIMOI-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.05
Rot. Bonds

About 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine

3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine (PubChem CID 168942855) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine
PubChem CID168942855
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine
SMILESCc1ccc(C)c(C#Cc2cnc3cc(C)cnn23)c1
InChIInChI=1S/C17H15N3/c1-12-4-5-14(3)15(8-12)6-7-16-11-18-17-9-13(2)10-19-20(16)17/h4-5,8-11H,1-3H3
InChIKeyUUUWUZAKWNIMOI-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine
CID 155453754
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl chloride;hydrochloride
CID 139270206
3-[2-[7-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-pyridin-2-ylbenzamide
CID 172643517
2-(3-bromoprop-1-ynyl)-1,4-dimethylbenzene
CID 126971803
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole
CID 157216730
N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 58945685
1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 176804927
4-methyl-3-[2-[6-[4-[[2-(methylamino)ethylamino]methyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile
CID 144821702
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[[4-(3-oxobutyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 126550921
carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
CID 58883381
N-[4-(2-amino-2-iminoethyl)-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 24826821
N-[4-[(dipropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide;ethane
CID 144647366

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine (CID 168942855) is 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine is Cc1ccc(C)c(C#Cc2cnc3cc(C)cnn23)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine?
The InChIKey is UUUWUZAKWNIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-4-5-14(3)15(8-12)6-7-16-11-18-17-9-13(2)10-19-20(16)17/h4-5,8-11H,1-3H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine?
3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine has a molecular weight of 261.33 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 168942855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).