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

C13H9F3N4O — CID 134543887

IUPAC[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)12-18-17-11-6-5-10(19-20(11)12)9-3-1-8(7-21)2-4-9/h1-6,21H,7H2
InChIKeyRYRGONOWXZZYQM-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.30
Rot. Bonds2

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

[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134543887) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134543887
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)12-18-17-11-6-5-10(19-20(11)12)9-3-1-8(7-21)2-4-9/h1-6,21H,7H2
InChIKeyRYRGONOWXZZYQM-UHFFFAOYSA-N
XLogP2.30
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (CID 134543887) is [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is OCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is RYRGONOWXZZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)12-18-17-11-6-5-10(19-20(11)12)9-3-1-8(7-21)2-4-9/h1-6,21H,7H2.
What are the key properties of [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 294.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134543887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).