6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H5F3N6S — CID 7354172

IUPAC6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3ncccn3)nn12
InChIInChI=1S/C10H5F3N6S/c11-10(12,13)8-17-16-6-2-3-7(18-19(6)8)20-9-14-4-1-5-15-9/h1-5H
InChIKeyOHIQNPJZEUADCG-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.08
Rot. Bonds2

About 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7354172) has the molecular formula C10H5F3N6S and a molecular weight of 298.25 g/mol. Its IUPAC name is 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7354172
Molecular FormulaC10H5F3N6S
Molecular Weight298.25 g/mol
Exact Mass298.02
IUPAC Name6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3ncccn3)nn12
InChIInChI=1S/C10H5F3N6S/c11-10(12,13)8-17-16-6-2-3-7(18-19(6)8)20-9-14-4-1-5-15-9/h1-5H
InChIKeyOHIQNPJZEUADCG-UHFFFAOYSA-N
XLogP2.08
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-3-(heptafluoropropyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 549237
6-(Pyrimidin-2-ylthio)tetrazolo[1,5-b]pyridazine
CID 1508837
5-(6-Pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
CID 71578933
5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
1,2,4-Triazolo[4,3-b]pyridazine, 3-trifluoromethyl-6-(2-pyridylthio)-
CID 556130
6-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 879240
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-[(pyrimidine-2-yl)thio]-6-methylpyrimidine
CID 70986050
6-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17408733
2-[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-1,3-thiazole
CID 17417553
6-(1-Methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17422152
6-(1-Methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35871272

Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 7354172) is 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Sc3ncccn3)nn12.
What is the InChIKey of 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OHIQNPJZEUADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N6S/c11-10(12,13)8-17-16-6-2-3-7(18-19(6)8)20-9-14-4-1-5-15-9/h1-5H.
What are the key properties of 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 298.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7354172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).