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

C11H6F3N5O — CID 26015875

IUPAC6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3cccnc3)nn12
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)10-17-16-8-3-4-9(18-19(8)10)20-7-2-1-5-15-6-7/h1-6H
InChIKeyKFHXODDSRCNOMV-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.33
Rot. Bonds2

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

6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 26015875) has the molecular formula C11H6F3N5O and a molecular weight of 281.20 g/mol. Its IUPAC name is 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID26015875
Molecular FormulaC11H6F3N5O
Molecular Weight281.20 g/mol
Exact Mass281.05
IUPAC Name6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3cccnc3)nn12
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)10-17-16-8-3-4-9(18-19(8)10)20-7-2-1-5-15-6-7/h1-6H
InChIKeyKFHXODDSRCNOMV-UHFFFAOYSA-N
XLogP2.33
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 26015875) is 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Oc3cccnc3)nn12.
What is the InChIKey of 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KFHXODDSRCNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O/c12-11(13,14)10-17-16-8-3-4-9(18-19(8)10)20-7-2-1-5-15-6-7/h1-6H.
What are the key properties of 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 281.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yloxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 26015875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).