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

C18H17F3N6S — CID 11811590

IUPAC3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1
InChIInChI=1S/C18H17F3N6S/c1-12-22-17(28-25-12)15-5-6-16(24-23-15)27-9-7-26(8-10-27)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyMUTVGQRUJIPMBV-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.65
Rot. Bonds3

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

3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole (PubChem CID 11811590) has the molecular formula C18H17F3N6S and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
PubChem CID11811590
Molecular FormulaC18H17F3N6S
Molecular Weight406.44 g/mol
Exact Mass406.12
IUPAC Name3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1
InChIInChI=1S/C18H17F3N6S/c1-12-22-17(28-25-12)15-5-6-16(24-23-15)27-9-7-26(8-10-27)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyMUTVGQRUJIPMBV-UHFFFAOYSA-N
XLogP3.65
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-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 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole (CID 11811590) is 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole is Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1.
What is the InChIKey of 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is MUTVGQRUJIPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6S/c1-12-22-17(28-25-12)15-5-6-16(24-23-15)27-9-7-26(8-10-27)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole?
3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 406.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 11811590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).