N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H18F3N5O — CID 133336408

IUPACN-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(CNc1ccc2nnc(C(F)(F)F)n2n1)Oc1ccccc1C
InChIInChI=1S/C17H18F3N5O/c1-3-12(26-13-7-5-4-6-11(13)2)10-21-14-8-9-15-22-23-16(17(18,19)20)25(15)24-14/h4-9,12H,3,10H2,1-2H3,(H,21,24)
InChIKeyRADUTLNVNIRPAZ-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133336408) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133336408
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(CNc1ccc2nnc(C(F)(F)F)n2n1)Oc1ccccc1C
InChIInChI=1S/C17H18F3N5O/c1-3-12(26-13-7-5-4-6-11(13)2)10-21-14-8-9-15-22-23-16(17(18,19)20)25(15)24-14/h4-9,12H,3,10H2,1-2H3,(H,21,24)
InChIKeyRADUTLNVNIRPAZ-UHFFFAOYSA-N
XLogP3.72
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71978654
N,2-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]propane-1,3-diamine
CID 106950639
N-[2-(2-ethoxyphenyl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133289745
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282
methyl (2S)-2-hydroxy-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanoate
CID 97351854
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
CID 103801573
(1R)-1-(2-chlorophenyl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35916554
(1S)-1-(furan-2-yl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 94805960
(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
CID 94809269
N-[4-(difluoromethoxy)-3-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166369975
2-ethyl-1-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950640

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133336408) is N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCC(CNc1ccc2nnc(C(F)(F)F)n2n1)Oc1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RADUTLNVNIRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-3-12(26-13-7-5-4-6-11(13)2)10-21-14-8-9-15-22-23-16(17(18,19)20)25(15)24-14/h4-9,12H,3,10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 365.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133336408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).