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

C12H6F4N4O — CID 1480861

IUPAC6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C12H6F4N4O/c13-7-1-3-8(4-2-7)21-10-6-5-9-17-18-11(12(14,15)16)20(9)19-10/h1-6H
InChIKeyFCHWJXGRMDAVDS-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.07
Rot. Bonds2

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

6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1480861) has the molecular formula C12H6F4N4O and a molecular weight of 298.20 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1480861
Molecular FormulaC12H6F4N4O
Molecular Weight298.20 g/mol
Exact Mass298.05
IUPAC Name6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C12H6F4N4O/c13-7-1-3-8(4-2-7)21-10-6-5-9-17-18-11(12(14,15)16)20(9)19-10/h1-6H
InChIKeyFCHWJXGRMDAVDS-UHFFFAOYSA-N
XLogP3.07
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1480861) is 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FCHWJXGRMDAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N4O/c13-7-1-3-8(4-2-7)21-10-6-5-9-17-18-11(12(14,15)16)20(9)19-10/h1-6H.
What are the key properties of 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 298.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1480861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).