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

C13H10FN5OS — CID 7217510

IUPAC2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H10FN5OS/c14-9-3-1-8(2-4-9)10-5-6-12-16-17-13(19(12)18-10)21-7-11(15)20/h1-6H,7H2,(H2,15,20)
InChIKeyKECQHJBMWULKMP-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.51
Rot. Bonds4

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

2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide (PubChem CID 7217510) has the molecular formula C13H10FN5OS and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
PubChem CID7217510
Molecular FormulaC13H10FN5OS
Molecular Weight303.32 g/mol
Exact Mass303.06
IUPAC Name2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H10FN5OS/c14-9-3-1-8(2-4-9)10-5-6-12-16-17-13(19(12)18-10)21-7-11(15)20/h1-6H,7H2,(H2,15,20)
InChIKeyKECQHJBMWULKMP-UHFFFAOYSA-N
XLogP1.51
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide (CID 7217510) is 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide is NC(=O)CSc1nnc2ccc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The InChIKey is KECQHJBMWULKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5OS/c14-9-3-1-8(2-4-9)10-5-6-12-16-17-13(19(12)18-10)21-7-11(15)20/h1-6H,7H2,(H2,15,20).
What are the key properties of 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 7217510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).