6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H8F7N5O — CID 134555424

IUPAC6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F)C(F)(F)F
InChIInChI=1S/C14H8F7N5O/c1-6(13(16,17)18)27-11-8(15)4-7(5-22-11)9-2-3-10-23-24-12(14(19,20)21)26(10)25-9/h2-6H,1H3
InChIKeyWEHZPIHHOMWZFR-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.67
Rot. Bonds3

About 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555424) has the molecular formula C14H8F7N5O and a molecular weight of 395.24 g/mol. Its IUPAC name is 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555424
Molecular FormulaC14H8F7N5O
Molecular Weight395.24 g/mol
Exact Mass395.06
IUPAC Name6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F)C(F)(F)F
InChIInChI=1S/C14H8F7N5O/c1-6(13(16,17)18)27-11-8(15)4-7(5-22-11)9-2-3-10-23-24-12(14(19,20)21)26(10)25-9/h2-6H,1H3
InChIKeyWEHZPIHHOMWZFR-UHFFFAOYSA-N
XLogP3.67
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555424) is 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1F)C(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WEHZPIHHOMWZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7N5O/c1-6(13(16,17)18)27-11-8(15)4-7(5-22-11)9-2-3-10-23-24-12(14(19,20)21)26(10)25-9/h2-6H,1H3.
What are the key properties of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 395.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).