8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C6H5F3N4 — CID 68788127

IUPAC8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C1CC=Nn2cnnc21
InChIInChI=1S/C6H5F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h2-4H,1H2
InChIKeyQTKYVZRCYVJSQE-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.16
Rot. Bonds

About 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 68788127) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID68788127
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C1CC=Nn2cnnc21
InChIInChI=1S/C6H5F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h2-4H,1H2
InChIKeyQTKYVZRCYVJSQE-UHFFFAOYSA-N
XLogP1.16
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 68788127) is 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)C1CC=Nn2cnnc21.
What is the InChIKey of 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QTKYVZRCYVJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h2-4H,1H2.
What are the key properties of 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 190.13 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 68788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).