1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

C11H12F3N5O — CID 24587632

IUPAC1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)10-16-15-8-1-2-9(17-19(8)10)18-5-3-7(20)4-6-18/h1-2,7,20H,3-6H2
InChIKeyVSLDOAAWSJWSFC-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.10
Rot. Bonds1

About 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (PubChem CID 24587632) 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]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
PubChem CID24587632
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)10-16-15-8-1-2-9(17-19(8)10)18-5-3-7(20)4-6-18/h1-2,7,20H,3-6H2
InChIKeyVSLDOAAWSJWSFC-UHFFFAOYSA-N
XLogP1.10
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (CID 24587632) is 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is OC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The InChIKey is VSLDOAAWSJWSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)10-16-15-8-1-2-9(17-19(8)10)18-5-3-7(20)4-6-18/h1-2,7,20H,3-6H2.
What are the key properties of 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol has a molecular weight of 287.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 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]piperidin-4-ol is sourced from PubChem (CID 24587632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).