3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C154H143F37N36O18 — CID 163633635

IUPAC3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.CCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC)nnc2cn1.COC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COC3CC3)nnc2cn1
InChIInChI=1S/2C18H17F5N4O2.C18H20F2N4O2.2C17H15F5N4O2.C17H15F3N4O2.C17H18F2N4O2.2C16H13F5N4O2/c2*1-4-28-18(22,23)16-26-25-15-8-24-14(9-27(15)16)13-6-5-12(7-10(13)2)29-11(3)17(19,20)21;1-5-25-18(19,20)17-23-22-16-9-21-15(10-24(16)17)14-7-6-13(8-12(14)4)26-11(2)3;2*1-9-6-11(28-10(2)16(18,19)20)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)17(21,22)27-3;1-10-6-12(26-17(18,19)20)4-5-13(10)14-8-24-15(7-21-14)22-23-16(24)9-25-11-2-3-11;1-10(2)25-12-5-6-13(11(3)7-12)14-9-23-15(8-20-14)21-22-16(23)17(18,19)24-4;1-9-5-10(27-8-15(17,18)19)3-4-11(9)12-7-25-13(6-22-12)23-24-14(25)16(20,21)26-2;1-3-9-6-10(27-16(19,20)21)4-5-11(9)12-8-25-13(7-22-12)23-24-14(25)15(17,18)26-2/h2*5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,10H,1-3H3;4-8,11H,2-3,9H2,1H3;5-10H,1-4H3;3-7H,8H2,1-2H3;4-8H,3H2,1-2H3/t2*11-;;2*10-;;;;/m10.10..../s1
InChIKeyHYFJWZUUKAHDND-XHYKXHAPSA-N
MW3489.00 g/mol
LogP36.20
Rot. Bonds48

About 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163633635) has the molecular formula C154H143F37N36O18 and a molecular weight of 3489.00 g/mol. Its IUPAC name is 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163633635
Molecular FormulaC154H143F37N36O18
Molecular Weight3489.00 g/mol
Exact Mass3487.08
IUPAC Name3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.CCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC)nnc2cn1.COC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COC3CC3)nnc2cn1
InChIInChI=1S/2C18H17F5N4O2.C18H20F2N4O2.2C17H15F5N4O2.C17H15F3N4O2.C17H18F2N4O2.2C16H13F5N4O2/c2*1-4-28-18(22,23)16-26-25-15-8-24-14(9-27(15)16)13-6-5-12(7-10(13)2)29-11(3)17(19,20)21;1-5-25-18(19,20)17-23-22-16-9-21-15(10-24(16)17)14-7-6-13(8-12(14)4)26-11(2)3;2*1-9-6-11(28-10(2)16(18,19)20)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)17(21,22)27-3;1-10-6-12(26-17(18,19)20)4-5-13(10)14-8-24-15(7-21-14)22-23-16(24)9-25-11-2-3-11;1-10(2)25-12-5-6-13(11(3)7-12)14-9-23-15(8-20-14)21-22-16(23)17(18,19)24-4;1-9-5-10(27-8-15(17,18)19)3-4-11(9)12-7-25-13(6-22-12)23-24-14(25)16(20,21)26-2;1-3-9-6-10(27-16(19,20)21)4-5-11(9)12-8-25-13(7-22-12)23-24-14(25)15(17,18)26-2/h2*5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,10H,1-3H3;4-8,11H,2-3,9H2,1H3;5-10H,1-4H3;3-7H,8H2,1-2H3;4-8H,3H2,1-2H3/t2*11-;;2*10-;;;;/m10.10..../s1
InChIKeyHYFJWZUUKAHDND-XHYKXHAPSA-N
XLogP36.20
TPSA553.86 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds48
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003489.00
LogP ≤ 536.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 163633635) is 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.CCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC)nnc2cn1.COC(F)(F)c1nnc2cnc(-c3ccc(OC(C)C)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)cc3C)cn12.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COC3CC3)nnc2cn1.
What is the InChIKey of 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HYFJWZUUKAHDND-XHYKXHAPSA-N. The full InChI is InChI=1S/2C18H17F5N4O2.C18H20F2N4O2.2C17H15F5N4O2.C17H15F3N4O2.C17H18F2N4O2.2C16H13F5N4O2/c2*1-4-28-18(22,23)16-26-25-15-8-24-14(9-27(15)16)13-6-5-12(7-10(13)2)29-11(3)17(19,20)21;1-5-25-18(19,20)17-23-22-16-9-21-15(10-24(16)17)14-7-6-13(8-12(14)4)26-11(2)3;2*1-9-6-11(28-10(2)16(18,19)20)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)17(21,22)27-3;1-10-6-12(26-17(18,19)20)4-5-13(10)14-8-24-15(7-21-14)22-23-16(24)9-25-11-2-3-11;1-10(2)25-12-5-6-13(11(3)7-12)14-9-23-15(8-20-14)21-22-16(23)17(18,19)24-4;1-9-5-10(27-8-15(17,18)19)3-4-11(9)12-7-25-13(6-22-12)23-24-14(25)16(20,21)26-2;1-3-9-6-10(27-16(19,20)21)4-5-11(9)12-8-25-13(7-22-12)23-24-14(25)15(17,18)26-2/h2*5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,10H,1-3H3;4-8,11H,2-3,9H2,1H3;5-10H,1-4H3;3-7H,8H2,1-2H3;4-8H,3H2,1-2H3/t2*11-;;2*10-;;;;/m10.10..../s1.
What are the key properties of 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3489.00 g/mol, XLogP of 36.20, 48 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropyloxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-ethyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163633635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).