[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol

C11H12F3N5O — CID 103792112

IUPAC[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol
SMILESOCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)9-17-16-8-3-2-7(18-19(8)9)15-10(6-20)4-1-5-10/h2-3,20H,1,4-6H2,(H,15,18)
InChIKeyUXEMDNQELNCRRU-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.47
Rot. Bonds3

About [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol

[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol (PubChem CID 103792112) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol
PubChem CID103792112
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol
SMILESOCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)9-17-16-8-3-2-7(18-19(8)9)15-10(6-20)4-1-5-10/h2-3,20H,1,4-6H2,(H,15,18)
InChIKeyUXEMDNQELNCRRU-UHFFFAOYSA-N
XLogP1.47
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104938275
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950612
3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106214849
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
N-[(1-methylsulfanylcyclobutyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 107268757
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
CID 103801573
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
6-[[1-(hydroxymethyl)cyclopentyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281861
1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol?
The IUPAC name of [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol (CID 103792112) is [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol?
The canonical SMILES for [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol is OCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1.
What is the InChIKey of [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol?
The InChIKey is UXEMDNQELNCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)9-17-16-8-3-2-7(18-19(8)9)15-10(6-20)4-1-5-10/h2-3,20H,1,4-6H2,(H,15,18).
What are the key properties of [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol?
[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol has a molecular weight of 287.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol is sourced from PubChem (CID 103792112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).