6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H11F3N4O — CID 134555560

IUPAC6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C14H11F3N4O/c1-2-22-10-5-3-9(4-6-10)11-8-21-12(7-18-11)19-20-13(21)14(15,16)17/h3-8H,2H2,1H3
InChIKeyIJODYFXXFJPMBW-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.21
Rot. Bonds3

About 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555560) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555560
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C14H11F3N4O/c1-2-22-10-5-3-9(4-6-10)11-8-21-12(7-18-11)19-20-13(21)14(15,16)17/h3-8H,2H2,1H3
InChIKeyIJODYFXXFJPMBW-UHFFFAOYSA-N
XLogP3.21
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591
6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555490
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
6-[6-(3,3-difluorobutan-2-yloxy)-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2,2-difluoro-3-methylpentane;6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
CID 142362471
[3-fluoro-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-2-pyridinyl]oxy-dimethyl-(trifluoromethyl)-λ4-sulfane
CID 142362443
6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 170286453
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 136664249
3-[difluoro(iodomethoxy)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163724544
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 156532975
3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370768

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555560) is 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CCOc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IJODYFXXFJPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-2-22-10-5-3-9(4-6-10)11-8-21-12(7-18-11)19-20-13(21)14(15,16)17/h3-8H,2H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 308.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).