3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C31H27F9N8O3 — CID 142362465

IUPAC3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1
InChIInChI=1S/C15H12F4N4O.C14H9F5N4O2.C2H6/c1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-24-10-4-7(25-14(17,18)19)2-3-8(10)9-6-23-11(5-20-9)21-22-13(23)12(15)16;1-2/h3-7,9H,1-2H3;2-6,12H,1H3;1-2H3
InChIKeyGTDAAQVPKJLEIR-UHFFFAOYSA-N
MW730.59 g/mol
LogP8.69
Rot. Bonds7

About 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362465) has the molecular formula C31H27F9N8O3 and a molecular weight of 730.59 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362465
Molecular FormulaC31H27F9N8O3
Molecular Weight730.59 g/mol
Exact Mass730.21
IUPAC Name3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1
InChIInChI=1S/C15H12F4N4O.C14H9F5N4O2.C2H6/c1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-24-10-4-7(25-14(17,18)19)2-3-8(10)9-6-23-11(5-20-9)21-22-13(23)12(15)16;1-2/h3-7,9H,1-2H3;2-6,12H,1H3;1-2H3
InChIKeyGTDAAQVPKJLEIR-UHFFFAOYSA-N
XLogP8.69
TPSA113.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.59
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Lmtk3-IN-1
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2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
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2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
3-Methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401390
US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-7-methoxy-5H-imidazo[2,1-a]isoindole
CID 69670742
US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-6-methoxy-5H-imidazo[2,1-a]isoindole
CID 69670755
US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-9-methoxy-5H-imidazo[2,1-a]isoindole
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6-(3,5-Dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
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2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
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3-(3,5-Dimethoxyphenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyrazine
CID 155542102
2-(2,4-Dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
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US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-8-methoxy-5H-imidazo[2,1-a]isoindole
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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362465) is 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GTDAAQVPKJLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O.C14H9F5N4O2.C2H6/c1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-24-10-4-7(25-14(17,18)19)2-3-8(10)9-6-23-11(5-20-9)21-22-13(23)12(15)16;1-2/h3-7,9H,1-2H3;2-6,12H,1H3;1-2H3.
What are the key properties of 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 730.59 g/mol, XLogP of 8.69, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).