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

C13H7F5N4O — CID 134555452

IUPAC6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H7F5N4O/c14-12(15)23-8-3-1-7(2-4-8)9-5-6-10-19-20-11(13(16,17)18)22(10)21-9/h1-6,12H
InChIKeyRIBCYELWTSTKCC-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.41
Rot. Bonds3

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

6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555452) has the molecular formula C13H7F5N4O and a molecular weight of 330.22 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555452
Molecular FormulaC13H7F5N4O
Molecular Weight330.22 g/mol
Exact Mass330.05
IUPAC Name6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H7F5N4O/c14-12(15)23-8-3-1-7(2-4-8)9-5-6-10-19-20-11(13(16,17)18)22(10)21-9/h1-6,12H
InChIKeyRIBCYELWTSTKCC-UHFFFAOYSA-N
XLogP3.41
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555452) is 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RIBCYELWTSTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N4O/c14-12(15)23-8-3-1-7(2-4-8)9-5-6-10-19-20-11(13(16,17)18)22(10)21-9/h1-6,12H.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 330.22 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).