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

C18H17F3N4O2 — CID 133286379

IUPAC6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3ccc(OC4CCCCC4)cc3)nn12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)17-23-22-15-10-11-16(24-25(15)17)27-14-8-6-13(7-9-14)26-12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyYBEGULQWLYQPGT-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.65
Rot. Bonds4

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

6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133286379) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133286379
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Oc3ccc(OC4CCCCC4)cc3)nn12
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)17-23-22-15-10-11-16(24-25(15)17)27-14-8-6-13(7-9-14)26-12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyYBEGULQWLYQPGT-UHFFFAOYSA-N
XLogP4.65
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24605030
6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 17496723
3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 68761447
2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine
CID 164518181
6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900549
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
6-(2-chloro-4-methylphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900554
2-fluoro-6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]benzonitrile
CID 133391494
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 87178764
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
6-[4-fluoro-2-(3-methylcyclohexa-2,4-dien-1-yl)phenoxy]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126658511
6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157123963

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133286379) is 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Oc3ccc(OC4CCCCC4)cc3)nn12.
What is the InChIKey of 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YBEGULQWLYQPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)17-23-22-15-10-11-16(24-25(15)17)27-14-8-6-13(7-9-14)26-12-4-2-1-3-5-12/h6-12H,1-5H2.
What are the key properties of 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 378.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133286379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).