6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C15H9F2N5 — CID 122662910

IUPAC6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H
InChIKeyQWMPOTSUFACDRU-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.81
Rot. Bonds2

About 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 122662910) has the molecular formula C15H9F2N5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
PubChem CID122662910
Molecular FormulaC15H9F2N5
Molecular Weight297.27 g/mol
Exact Mass297.08
IUPAC Name6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H
InChIKeyQWMPOTSUFACDRU-UHFFFAOYSA-N
XLogP2.81
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline 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

6-[difluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320421
4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 59320375
6-[difluoro-[6-(1-propan-2-ylindol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 177380762
6-[difluoro-[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320399
3-[(E)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-5-hydroxy-1H-imidazol-2-one
CID 91808138
6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
3-[difluoro(quinolin-6-yl)methyl]-N-(1-ethenylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 70649078
3-[difluoro(quinolin-6-yl)methyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 59608400
6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline
CID 163519216
2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol
CID 2851238
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 122662910) is 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is FC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12.
What is the InChIKey of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The InChIKey is QWMPOTSUFACDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H.
What are the key properties of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 297.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 122662910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).