3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C151H110F47N41O11 — CID 158753375

IUPAC3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3F)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.CC(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(C2(C#N)CC2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.Cc1cc(C(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1
InChIInChI=1S/C18H15F2N5O.C16H13F5N4O2.C15H11F5N4O2.C15H11F5N4O.C15H11F5N4.C15H12F4N4O2.C15H12F4N4O.C14H8F6N4O.C14H8F6N4.C14H9F5N4O/c1-17(19,20)16-24-23-15-8-22-13(9-25(15)16)12-4-3-11(7-14(12)26-2)18(10-21)5-6-18;1-15(17,18)14-24-23-13-6-22-12(7-25(13)14)11-4-3-10(27-16(19,20)21)5-9(11)8-26-2;1-14(16,17)13-23-22-12-6-21-10(7-24(12)13)9-4-3-8(5-11(9)25-2)26-15(18,19)20;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8-5-9(15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8(16)14-22-21-13-6-20-11(7-23(13)14)10-4-3-9(5-12(10)24-2)25-15(17,18)19;1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)25-14(18,19)20;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)14(18,19)20;1-7(15)13-22-21-12-5-20-11(6-23(12)13)9-3-2-8(4-10(9)16)24-14(17,18)19/h3-4,7-9H,5-6H2,1-2H3;3-7H,8H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,9H,1-2H3;2-6H,1H3;2-6H,1H3;2-7H,1H3
InChIKeyINTJEYJNBQBJCL-UHFFFAOYSA-N
MW3567.72 g/mol
LogP39.18
Rot. Bonds33

About 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158753375) has the molecular formula C151H110F47N41O11 and a molecular weight of 3567.72 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID158753375
Molecular FormulaC151H110F47N41O11
Molecular Weight3567.72 g/mol
Exact Mass3565.86
IUPAC Name3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3F)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.CC(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(C2(C#N)CC2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.Cc1cc(C(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1
InChIInChI=1S/C18H15F2N5O.C16H13F5N4O2.C15H11F5N4O2.C15H11F5N4O.C15H11F5N4.C15H12F4N4O2.C15H12F4N4O.C14H8F6N4O.C14H8F6N4.C14H9F5N4O/c1-17(19,20)16-24-23-15-8-22-13(9-25(15)16)12-4-3-11(7-14(12)26-2)18(10-21)5-6-18;1-15(17,18)14-24-23-13-6-22-12(7-25(13)14)11-4-3-10(27-16(19,20)21)5-9(11)8-26-2;1-14(16,17)13-23-22-12-6-21-10(7-24(12)13)9-4-3-8(5-11(9)25-2)26-15(18,19)20;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8-5-9(15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8(16)14-22-21-13-6-20-11(7-23(13)14)10-4-3-9(5-12(10)24-2)25-15(17,18)19;1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)25-14(18,19)20;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)14(18,19)20;1-7(15)13-22-21-12-5-20-11(6-23(12)13)9-3-2-8(4-10(9)16)24-14(17,18)19/h3-4,7-9H,5-6H2,1-2H3;3-7H,8H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,9H,1-2H3;2-6H,1H3;2-6H,1H3;2-7H,1H3
InChIKeyINTJEYJNBQBJCL-UHFFFAOYSA-N
XLogP39.18
TPSA556.12 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds33
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003567.72
LogP ≤ 539.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 158753375) is 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3F)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.CC(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3F)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(C2(C#N)CC2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.Cc1cc(C(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is INTJEYJNBQBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O.C16H13F5N4O2.C15H11F5N4O2.C15H11F5N4O.C15H11F5N4.C15H12F4N4O2.C15H12F4N4O.C14H8F6N4O.C14H8F6N4.C14H9F5N4O/c1-17(19,20)16-24-23-15-8-22-13(9-25(15)16)12-4-3-11(7-14(12)26-2)18(10-21)5-6-18;1-15(17,18)14-24-23-13-6-22-12(7-25(13)14)11-4-3-10(27-16(19,20)21)5-9(11)8-26-2;1-14(16,17)13-23-22-12-6-21-10(7-24(12)13)9-4-3-8(5-11(9)25-2)26-15(18,19)20;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8-5-9(15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-8(16)14-22-21-13-6-20-11(7-23(13)14)10-4-3-9(5-12(10)24-2)25-15(17,18)19;1-8-5-10(24-15(17,18)19)3-4-11(8)12-7-23-13(6-20-12)21-22-14(23)9(2)16;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)25-14(18,19)20;1-13(16,17)12-23-22-11-5-21-10(6-24(11)12)8-3-2-7(4-9(8)15)14(18,19)20;1-7(15)13-22-21-12-5-20-11(6-23(12)13)9-3-2-8(4-10(9)16)24-14(17,18)19/h3-4,7-9H,5-6H2,1-2H3;3-7H,8H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,9H,1-2H3;2-6H,1H3;2-6H,1H3;2-7H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3567.72 g/mol, XLogP of 39.18, 33 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158753375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).