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

C15H15F3N8 — CID 67340745

IUPAC6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4cnccn4)CC3)nn12
InChIInChI=1S/C15H15F3N8/c16-15(17,18)14-22-21-12-1-2-13(23-26(12)14)25-7-5-24(6-8-25)10-11-9-19-3-4-20-11/h1-4,9H,5-8,10H2
InChIKeyNIPYDFBICPFLAS-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.26
Rot. Bonds3

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

6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67340745) has the molecular formula C15H15F3N8 and a molecular weight of 364.34 g/mol. Its IUPAC name is 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67340745
Molecular FormulaC15H15F3N8
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Name6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4cnccn4)CC3)nn12
InChIInChI=1S/C15H15F3N8/c16-15(17,18)14-22-21-12-1-2-13(23-26(12)14)25-7-5-24(6-8-25)10-11-9-19-3-4-20-11/h1-4,9H,5-8,10H2
InChIKeyNIPYDFBICPFLAS-UHFFFAOYSA-N
XLogP1.26
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1H-imidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1521583
3-[2-(isopentylamino)pyrimidin-5-yl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
CID 53357693
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
3-Methylpyrrolo[2,1-c][1,2,4]triazine
CID 58661804
N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 168295118
5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
7-(4-Propylpiperazino)[1,2,4]triazolo[4,3-b]pyridazine
CID 53189614
6-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 53562047
3-Methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53564433
6-[2-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53568070
6-[2-Methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53569365
3-Chloro-6-[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 168281524

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 67340745) is 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCN(Cc4cnccn4)CC3)nn12.
What is the InChIKey of 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NIPYDFBICPFLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8/c16-15(17,18)14-22-21-12-1-2-13(23-26(12)14)25-7-5-24(6-8-25)10-11-9-19-3-4-20-11/h1-4,9H,5-8,10H2.
What are the key properties of 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 364.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67340745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).