3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H17F3N6S — CID 133488152

IUPAC3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)c1
InChIInChI=1S/C20H17F3N6S/c21-20(22,23)15-2-1-3-16(12-15)27-7-9-28(10-8-27)18-5-4-17-24-25-19(29(17)26-18)14-6-11-30-13-14/h1-6,11-13H,7-10H2
InChIKeyWXGPIVZKUZAXNS-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.20
Rot. Bonds3

About 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133488152) has the molecular formula C20H17F3N6S and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133488152
Molecular FormulaC20H17F3N6S
Molecular Weight430.46 g/mol
Exact Mass430.12
IUPAC Name3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)c1
InChIInChI=1S/C20H17F3N6S/c21-20(22,23)15-2-1-3-16(12-15)27-7-9-28(10-8-27)18-5-4-17-24-25-19(29(17)26-18)14-6-11-30-13-14/h1-6,11-13H,7-10H2
InChIKeyWXGPIVZKUZAXNS-UHFFFAOYSA-N
XLogP4.20
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308225
6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489197
6-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488193
3-thiophen-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488409
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1252245
6-(2,3-dimethylpyrrolidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133492501
6-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133491986
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
CID 134801955
CID 134801955
2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine
CID 133492328
N-benzyl-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133489045
2-(4-fluorophenoxy)-1-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 154753103

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133488152) is 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1cccc(N2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)c1.
What is the InChIKey of 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WXGPIVZKUZAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6S/c21-20(22,23)15-2-1-3-16(12-15)27-7-9-28(10-8-27)18-5-4-17-24-25-19(29(17)26-18)14-6-11-30-13-14/h1-6,11-13H,7-10H2.
What are the key properties of 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 430.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133488152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).