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

C16H11F5N4O — CID 134555432

IUPAC6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC1(F)CC(Oc2ccc(-c3ccc4nnc(C(F)(F)F)n4n3)cc2)C1
InChIInChI=1S/C16H11F5N4O/c17-15(18)7-11(8-15)26-10-3-1-9(2-4-10)12-5-6-13-22-23-14(16(19,20)21)25(13)24-12/h1-6,11H,7-8H2
InChIKeyUDCSGLZVYNDZGV-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.99
Rot. Bonds3

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

6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555432) has the molecular formula C16H11F5N4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555432
Molecular FormulaC16H11F5N4O
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC1(F)CC(Oc2ccc(-c3ccc4nnc(C(F)(F)F)n4n3)cc2)C1
InChIInChI=1S/C16H11F5N4O/c17-15(18)7-11(8-15)26-10-3-1-9(2-4-10)12-5-6-13-22-23-14(16(19,20)21)25(13)24-12/h1-6,11H,7-8H2
InChIKeyUDCSGLZVYNDZGV-UHFFFAOYSA-N
XLogP3.99
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555432) is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC1(F)CC(Oc2ccc(-c3ccc4nnc(C(F)(F)F)n4n3)cc2)C1.
What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UDCSGLZVYNDZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O/c17-15(18)7-11(8-15)26-10-3-1-9(2-4-10)12-5-6-13-22-23-14(16(19,20)21)25(13)24-12/h1-6,11H,7-8H2.
What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 370.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).