4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole

C14H14F3N7S — CID 67340793

IUPAC4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4cscn4)CC3)nn12
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-11-1-2-12(21-24(11)13)23-5-3-22(4-6-23)7-10-8-25-9-18-10/h1-2,8-9H,3-7H2
InChIKeyKLSKKWBEGPQCAQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.92
Rot. Bonds3

About 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole

4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 67340793) has the molecular formula C14H14F3N7S and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID67340793
Molecular FormulaC14H14F3N7S
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4cscn4)CC3)nn12
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-11-1-2-12(21-24(11)13)23-5-3-22(4-6-23)7-10-8-25-9-18-10/h1-2,8-9H,3-7H2
InChIKeyKLSKKWBEGPQCAQ-UHFFFAOYSA-N
XLogP1.92
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole 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 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 67340793) is 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1nnc2ccc(N3CCN(Cc4cscn4)CC3)nn12.
What is the InChIKey of 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KLSKKWBEGPQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-11-1-2-12(21-24(11)13)23-5-3-22(4-6-23)7-10-8-25-9-18-10/h1-2,8-9H,3-7H2.
What are the key properties of 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 369.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 67340793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).