6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C63H39F15N16O4 — CID 157310484

IUPAC6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)Oc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C18H11F3N4O.C18H12F2N4O.C14H10F4N4O.C13H6F6N4O/c19-18(20,21)17-24-23-16-10-22-15(11-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-14(17,18)23-9-4-2-8(3-5-9)10-7-22-11(6-19-10)20-21-13(22)12(15)16;14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-11H;1-11,17H;2-7,12H,1H3;1-6H
InChIKeyBCZFEPKHMFMKDW-UHFFFAOYSA-N
MW1369.08 g/mol
LogP16.55
Rot. Bonds13

About 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157310484) has the molecular formula C63H39F15N16O4 and a molecular weight of 1369.08 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157310484
Molecular FormulaC63H39F15N16O4
Molecular Weight1369.08 g/mol
Exact Mass1368.31
IUPAC Name6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)Oc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C18H11F3N4O.C18H12F2N4O.C14H10F4N4O.C13H6F6N4O/c19-18(20,21)17-24-23-16-10-22-15(11-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-14(17,18)23-9-4-2-8(3-5-9)10-7-22-11(6-19-10)20-21-13(22)12(15)16;14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-11H;1-11,17H;2-7,12H,1H3;1-6H
InChIKeyBCZFEPKHMFMKDW-UHFFFAOYSA-N
XLogP16.55
TPSA209.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.08
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

(S)-4-(5-(3-fluoro-4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 118364799
3-[4-(Difluoromethoxy)phenyl]-5-[2-(1,3-dihydroisoindol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 76318582
6-(1-Methylpyrazol-4-yl)-3-(4-phenoxyphenyl) imidazo[1,2-a]pyrazine
CID 126672977
3-(3-Fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
CID 22031609
3-(4-{6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]imidazo[1,2-a]pyridin-3-yl}phenoxy)-propyl azide
CID 22031864
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 22031999
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23537393
6-(4-Phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 58118991
5-[3-[4-(3-Pyridin-4-ylpropoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59613243
3-(Difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66850019
6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 68813018
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazine
CID 89924641

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 157310484) is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)Oc1ccc(-c2cn3c(C(F)F)nnc3cn2)cc1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.FC(F)(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.FC(F)c1nnc2cnc(-c3ccc(Oc4ccccc4)cc3)cn12.
What is the InChIKey of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BCZFEPKHMFMKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O.C18H12F2N4O.C14H10F4N4O.C13H6F6N4O/c19-18(20,21)17-24-23-16-10-22-15(11-25(16)17)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13;19-17(20)18-23-22-16-10-21-15(11-24(16)18)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13;1-14(17,18)23-9-4-2-8(3-5-9)10-7-22-11(6-19-10)20-21-13(22)12(15)16;14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-11H;1-11,17H;2-7,12H,1H3;1-6H.
What are the key properties of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1369.08 g/mol, XLogP of 16.55, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157310484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).