4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol

C12H7F3N4O — CID 134555720

IUPAC4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
SMILESOc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10-5-16-9(6-19(10)11)7-1-3-8(20)4-2-7/h1-6,20H
InChIKeyPOBJLYULUPEWCL-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.52
Rot. Bonds1

About 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol

4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol (PubChem CID 134555720) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
PubChem CID134555720
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
SMILESOc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10-5-16-9(6-19(10)11)7-1-3-8(20)4-2-7/h1-6,20H
InChIKeyPOBJLYULUPEWCL-UHFFFAOYSA-N
XLogP2.52
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol with MolForge

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-(Imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
CID 764266
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-[8-Morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 56966840
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
6-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 87178559

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol?
The IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol (CID 134555720) is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol?
The canonical SMILES for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol is Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol?
The InChIKey is POBJLYULUPEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10-5-16-9(6-19(10)11)7-1-3-8(20)4-2-7/h1-6,20H.
What are the key properties of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol?
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol has a molecular weight of 280.21 g/mol, XLogP of 2.52, 1 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-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 134555720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).