(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol

C14H11F4N5O — CID 94809269

IUPAC(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESO[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1F
InChIInChI=1S/C14H11F4N5O/c15-9-4-2-1-3-8(9)10(24)7-19-11-5-6-12-20-21-13(14(16,17)18)23(12)22-11/h1-6,10,24H,7H2,(H,19,22)/t10-/m0/s1
InChIKeyRHGGRSZYOZJOKD-JTQLQIEISA-N
MW341.27 g/mol
LogP2.43
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol

(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (PubChem CID 94809269) has the molecular formula C14H11F4N5O and a molecular weight of 341.27 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
PubChem CID94809269
Molecular FormulaC14H11F4N5O
Molecular Weight341.27 g/mol
Exact Mass341.09
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
SMILESO[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1F
InChIInChI=1S/C14H11F4N5O/c15-9-4-2-1-3-8(9)10(24)7-19-11-5-6-12-20-21-13(14(16,17)18)23(12)22-11/h1-6,10,24H,7H2,(H,19,22)/t10-/m0/s1
InChIKeyRHGGRSZYOZJOKD-JTQLQIEISA-N
XLogP2.43
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282
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
(1R)-1-(4-nitrophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
CID 30822850
methyl (2S)-2-hydroxy-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanoate
CID 97351854
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
N-[(2-chloro-6-fluorophenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39352377
(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
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096599
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096596
N-[2-(2-methylphenoxy)butyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133336408

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol (CID 94809269) is (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is O[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
The InChIKey is RHGGRSZYOZJOKD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H11F4N5O/c15-9-4-2-1-3-8(9)10(24)7-19-11-5-6-12-20-21-13(14(16,17)18)23(12)22-11/h1-6,10,24H,7H2,(H,19,22)/t10-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol?
(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol has a molecular weight of 341.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol is sourced from PubChem (CID 94809269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).