5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole

C17H15F3N6S — CID 19608307

IUPAC5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)c1
InChIInChI=1S/C17H15F3N6S/c18-17(19,20)12-2-1-3-13(10-12)25-6-8-26(9-7-25)15-5-4-14(23-24-15)16-21-11-22-27-16/h1-5,10-11H,6-9H2
InChIKeyJTNJIRSJTUXAQC-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.34
Rot. Bonds3

About 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole

5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole (PubChem CID 19608307) has the molecular formula C17H15F3N6S and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
PubChem CID19608307
Molecular FormulaC17H15F3N6S
Molecular Weight392.41 g/mol
Exact Mass392.10
IUPAC Name5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)c1
InChIInChI=1S/C17H15F3N6S/c18-17(19,20)12-2-1-3-13(10-12)25-6-8-26(9-7-25)15-5-4-14(23-24-15)16-21-11-22-27-16/h1-5,10-11H,6-9H2
InChIKeyJTNJIRSJTUXAQC-UHFFFAOYSA-N
XLogP3.34
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole 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 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole (CID 19608307) is 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole is FC(F)(F)c1cccc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)c1.
What is the InChIKey of 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is JTNJIRSJTUXAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6S/c18-17(19,20)12-2-1-3-13(10-12)25-6-8-26(9-7-25)15-5-4-14(23-24-15)16-21-11-22-27-16/h1-5,10-11H,6-9H2.
What are the key properties of 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 392.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 19608307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).