6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

C138H127F19N36O8 — CID 161110475

IUPAC6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESCC(C)OCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.CC(F)c1nnc2ccc(-c3ccc(CO)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COCc1ccc(-c2ccc3nnc(C(C)F)n3n2)cc1.COCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.COCc1ccc(-c2cn3c(C(C)F)nnc3cn2)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12
InChIInChI=1S/C17H15F3N4O.C17H18F2N4O.C16H13F3N4.C15H11F5N4O.C15H14F2N4O.2C15H15FN4O.2C14H13FN4O/c1-10(18)16-23-22-15-8-21-14(9-24(15)16)11-2-4-12(5-3-11)25-13-6-17(19,20)7-13;1-11(2)24-10-12-4-6-13(7-5-12)14-9-23-15(8-20-14)21-22-16(23)17(3,18)19;1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-15(16,17)14-20-19-13-7-18-12(8-21(13)14)11-5-3-10(4-6-11)9-22-2;1-10(16)15-19-18-14-7-17-13(8-20(14)15)12-5-3-11(4-6-12)9-21-2;1-10(16)15-18-17-14-8-7-13(19-20(14)15)12-5-3-11(4-6-12)9-21-2;1-9(15)14-18-17-13-6-16-12(7-19(13)14)11-4-2-10(8-20)3-5-11;1-9(15)14-17-16-13-7-6-12(18-19(13)14)11-4-2-10(8-20)3-5-11/h2-5,8-10,13H,6-7H2,1H3;4-9,11H,10H2,1-3H3;2-5,7-9,12H,6H2,1H3;3-7H,1-2H3;3-8H,9H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*2-7,9,20H,8H2,1H3/t;;9?,12-;;;;;;/m..0....../s1
InChIKeyUJPXZSVILDHHLS-YYUHIXTCSA-N
MW2778.74 g/mol
LogP29.49
Rot. Bonds33

About 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 161110475) has the molecular formula C138H127F19N36O8 and a molecular weight of 2778.74 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
PubChem CID161110475
Molecular FormulaC138H127F19N36O8
Molecular Weight2778.74 g/mol
Exact Mass2777.03
IUPAC Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESCC(C)OCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.CC(F)c1nnc2ccc(-c3ccc(CO)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COCc1ccc(-c2ccc3nnc(C(C)F)n3n2)cc1.COCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.COCc1ccc(-c2cn3c(C(C)F)nnc3cn2)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12
InChIInChI=1S/C17H15F3N4O.C17H18F2N4O.C16H13F3N4.C15H11F5N4O.C15H14F2N4O.2C15H15FN4O.2C14H13FN4O/c1-10(18)16-23-22-15-8-21-14(9-24(15)16)11-2-4-12(5-3-11)25-13-6-17(19,20)7-13;1-11(2)24-10-12-4-6-13(7-5-12)14-9-23-15(8-20-14)21-22-16(23)17(3,18)19;1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-15(16,17)14-20-19-13-7-18-12(8-21(13)14)11-5-3-10(4-6-11)9-22-2;1-10(16)15-19-18-14-7-17-13(8-20(14)15)12-5-3-11(4-6-12)9-21-2;1-10(16)15-18-17-14-8-7-13(19-20(14)15)12-5-3-11(4-6-12)9-21-2;1-9(15)14-18-17-13-6-16-12(7-19(13)14)11-4-2-10(8-20)3-5-11;1-9(15)14-17-16-13-7-6-12(18-19(13)14)11-4-2-10(8-20)3-5-11/h2-5,8-10,13H,6-7H2,1H3;4-9,11H,10H2,1-3H3;2-5,7-9,12H,6H2,1H3;3-7H,1-2H3;3-8H,9H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*2-7,9,20H,8H2,1H3/t;;9?,12-;;;;;;/m..0....../s1
InChIKeyUJPXZSVILDHHLS-YYUHIXTCSA-N
XLogP29.49
TPSA483.56 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.74
LogP ≤ 529.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol with MolForge

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Related Compounds

3-(Difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362304
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362358
3-(1-Fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362378
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362516
3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 153370855
3-Cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157049633
Bis(2-(10-cyclopropyloxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(4,4-difluorocyclohexyl)ethanol);tris(1-[4-(hydroxymethyl)cyclohexyl]-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol)
CID 157075144
CID 157078309
CID 157078309
2-[2-[6-(1,1-Difluoroethyl)-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(6,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;5,8-dimethyl-2-[2-(3,6,7-trimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-3,6-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-3,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 157078662
CID 157106431
CID 157106431
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
3-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157145168

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (CID 161110475) is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is CC(C)OCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.CC(F)c1nnc2ccc(-c3ccc(CO)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COCc1ccc(-c2ccc3nnc(C(C)F)n3n2)cc1.COCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.COCc1ccc(-c2cn3c(C(C)F)nnc3cn2)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12.
What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is UJPXZSVILDHHLS-YYUHIXTCSA-N. The full InChI is InChI=1S/C17H15F3N4O.C17H18F2N4O.C16H13F3N4.C15H11F5N4O.C15H14F2N4O.2C15H15FN4O.2C14H13FN4O/c1-10(18)16-23-22-15-8-21-14(9-24(15)16)11-2-4-12(5-3-11)25-13-6-17(19,20)7-13;1-11(2)24-10-12-4-6-13(7-5-12)14-9-23-15(8-20-14)21-22-16(23)17(3,18)19;1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-15(16,17)14-20-19-13-7-18-12(8-21(13)14)11-5-3-10(4-6-11)9-22-2;1-10(16)15-19-18-14-7-17-13(8-20(14)15)12-5-3-11(4-6-12)9-21-2;1-10(16)15-18-17-14-8-7-13(19-20(14)15)12-5-3-11(4-6-12)9-21-2;1-9(15)14-18-17-13-6-16-12(7-19(13)14)11-4-2-10(8-20)3-5-11;1-9(15)14-17-16-13-7-6-12(18-19(13)14)11-4-2-10(8-20)3-5-11/h2-5,8-10,13H,6-7H2,1H3;4-9,11H,10H2,1-3H3;2-5,7-9,12H,6H2,1H3;3-7H,1-2H3;3-8H,9H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*2-7,9,20H,8H2,1H3/t;;9?,12-;;;;;;/m..0....../s1.
What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 2778.74 g/mol, XLogP of 29.49, 33 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 161110475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).