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

C10H10F3N5O — CID 67340864

IUPAC[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
SMILESOCC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-6(4-17)5-19/h1-2,6,19H,3-5H2
InChIKeyXMAUBXOEKVAVMD-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.57
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol (PubChem CID 67340864) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
PubChem CID67340864
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
SMILESOCC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-6(4-17)5-19/h1-2,6,19H,3-5H2
InChIKeyXMAUBXOEKVAVMD-UHFFFAOYSA-N
XLogP0.57
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.57
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]azetidin-3-yl]methanol?
The IUPAC name of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol (CID 67340864) is [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol is OCC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1.
What is the InChIKey of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol?
The InChIKey is XMAUBXOEKVAVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-6(4-17)5-19/h1-2,6,19H,3-5H2.
What are the key properties of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol?
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol has a molecular weight of 273.22 g/mol, XLogP of 0.57, 2 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]azetidin-3-yl]methanol is sourced from PubChem (CID 67340864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).