N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine

C11H8F3N7S2 — CID 24605545

IUPACN-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnc(NC4CC4)s3)nn12
InChIInChI=1S/C11H8F3N7S2/c12-11(13,14)8-17-16-6-3-4-7(20-21(6)8)22-10-19-18-9(23-10)15-5-1-2-5/h3-5H,1-2H2,(H,15,18)
InChIKeyCHNBASYJGKNBJZ-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24605545) has the molecular formula C11H8F3N7S2 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID24605545
Molecular FormulaC11H8F3N7S2
Molecular Weight359.36 g/mol
Exact Mass359.02
IUPAC NameN-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnc(NC4CC4)s3)nn12
InChIInChI=1S/C11H8F3N7S2/c12-11(13,14)8-17-16-6-3-4-7(20-21(6)8)22-10-19-18-9(23-10)15-5-1-2-5/h3-5H,1-2H2,(H,15,18)
InChIKeyCHNBASYJGKNBJZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine 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 N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine (CID 24605545) is N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc2ccc(Sc3nnc(NC4CC4)s3)nn12.
What is the InChIKey of N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CHNBASYJGKNBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7S2/c12-11(13,14)8-17-16-6-3-4-7(20-21(6)8)22-10-19-18-9(23-10)15-5-1-2-5/h3-5H,1-2H2,(H,15,18).
What are the key properties of N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 359.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24605545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).