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

C6H3F3N4 — CID 66788433

IUPAC8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccnn2cnnc12
InChIInChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h1-3H
InChIKeyTWWVVZJHNXKRQM-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.14
Rot. Bonds

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

8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 66788433) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID66788433
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccnn2cnnc12
InChIInChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h1-3H
InChIKeyTWWVVZJHNXKRQM-UHFFFAOYSA-N
XLogP1.14
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 66788433) is 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccnn2cnnc12.
What is the InChIKey of 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TWWVVZJHNXKRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)4-1-2-11-13-3-10-12-5(4)13/h1-3H.
What are the key properties of 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 188.11 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 66788433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).