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

C18H11F3N4O — CID 50905536

IUPAC6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11H
InChIKeyYKTUGTMUKDKLMZ-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.60
Rot. Bonds3

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

6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 50905536) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID50905536
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11H
InChIKeyYKTUGTMUKDKLMZ-UHFFFAOYSA-N
XLogP4.60
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 50905536) is 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.
What is the InChIKey of 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YKTUGTMUKDKLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)17-23-22-16-11-10-15(24-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 356.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 50905536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).