3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile

C18H10FN5S — CID 133430110

IUPAC3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
SMILESN#Cc1cccc(Sc2ccc3nnc(-c4ccccc4F)n3n2)c1
InChIInChI=1S/C18H10FN5S/c19-15-7-2-1-6-14(15)18-22-21-16-8-9-17(23-24(16)18)25-13-5-3-4-12(10-13)11-20/h1-10H
InChIKeyOUFZAQYQTBZRKZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.95
Rot. Bonds3

About 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile

3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile (PubChem CID 133430110) has the molecular formula C18H10FN5S and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
PubChem CID133430110
Molecular FormulaC18H10FN5S
Molecular Weight347.38 g/mol
Exact Mass347.06
IUPAC Name3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
SMILESN#Cc1cccc(Sc2ccc3nnc(-c4ccccc4F)n3n2)c1
InChIInChI=1S/C18H10FN5S/c19-15-7-2-1-6-14(15)18-22-21-16-8-9-17(23-24(16)18)25-13-5-3-4-12(10-13)11-20/h1-10H
InChIKeyOUFZAQYQTBZRKZ-UHFFFAOYSA-N
XLogP3.95
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile 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

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 133425711
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole
CID 133425826
3-(2-fluorophenyl)-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133427204
6-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426988
[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl] pyrrolidine-1-carbodithioate
CID 133424878
3-pyridin-2-ylsulfanylbenzonitrile
CID 102335720
ethyl 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate
CID 86701046
6-(3,5-dimethylphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727433
6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133426563

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile?
The IUPAC name of 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile (CID 133430110) is 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile?
The canonical SMILES for 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile is N#Cc1cccc(Sc2ccc3nnc(-c4ccccc4F)n3n2)c1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile?
The InChIKey is OUFZAQYQTBZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN5S/c19-15-7-2-1-6-14(15)18-22-21-16-8-9-17(23-24(16)18)25-13-5-3-4-12(10-13)11-20/h1-10H.
What are the key properties of 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile?
3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile has a molecular weight of 347.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile is sourced from PubChem (CID 133430110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).