2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine

C14H18F3N5O — CID 164518181

IUPAC2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine
SMILESCC1(C)C(N)C(C)(C)C1Oc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H18F3N5O/c1-12(2)9(18)13(3,4)10(12)23-8-6-5-7-19-20-11(14(15,16)17)22(7)21-8/h5-6,9-10H,18H2,1-4H3
InChIKeyMDDNYBKRCMIYNB-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.28
Rot. Bonds2

About 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine

2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine (PubChem CID 164518181) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine
PubChem CID164518181
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine
SMILESCC1(C)C(N)C(C)(C)C1Oc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H18F3N5O/c1-12(2)9(18)13(3,4)10(12)23-8-6-5-7-19-20-11(14(15,16)17)22(7)21-8/h5-6,9-10H,18H2,1-4H3
InChIKeyMDDNYBKRCMIYNB-UHFFFAOYSA-N
XLogP2.28
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine with MolForge

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Related Compounds

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24605030
6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133286379
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 87178764
6-(2-chloro-4-methylphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900554
4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine
CID 106950668
6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900549
2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine
CID 106950644
2-ethyl-2-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950611
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136899
6-(3-ethylazetidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149788
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 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine?
The IUPAC name of 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine (CID 164518181) is 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine?
The canonical SMILES for 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine is CC1(C)C(N)C(C)(C)C1Oc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine?
The InChIKey is MDDNYBKRCMIYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-12(2)9(18)13(3,4)10(12)23-8-6-5-7-19-20-11(14(15,16)17)22(7)21-8/h5-6,9-10H,18H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine?
2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine has a molecular weight of 329.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclobutan-1-amine is sourced from PubChem (CID 164518181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).