N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile

C157H125BrClF28N61 — CID 157277454

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2cccc(F)c2)n2ncnc2n1.Cc1cc(Nc2ccccc2F)n2ncnc2n1
InChIInChI=1S/C14H9F6N5.C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H9F4N5.2C13H12FN5.C12H9F2N5.2C12H10FN5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-4-12(23-13(21-8)19-7-20-23)22-10-3-2-9(6-18)11(5-10)14(15,16)17;1-8-3-4-10(6-11(8)14(15,16)17)21-12-5-9(2)20-13-18-7-19-22(12)13;1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14;2*1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17;1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13;1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10;1-8-6-11(18-12(16-8)14-7-15-18)17-10-5-3-2-4-9(10)13/h2-6,24H,1H3;2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;3*2-6,21H,1H3;2*3-7,18H,1-2H3;2-6,18H,1H3;2*2-7,17H,1H3
InChIKeyAZGSYDQUQIYQIE-UHFFFAOYSA-N
MW3513.45 g/mol
LogP37.05
Rot. Bonds24

About N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile

N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 157277454) has the molecular formula C157H125BrClF28N61 and a molecular weight of 3513.45 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID157277454
Molecular FormulaC157H125BrClF28N61
Molecular Weight3513.45 g/mol
Exact Mass3510.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2cccc(F)c2)n2ncnc2n1.Cc1cc(Nc2ccccc2F)n2ncnc2n1
InChIInChI=1S/C14H9F6N5.C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H9F4N5.2C13H12FN5.C12H9F2N5.2C12H10FN5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-4-12(23-13(21-8)19-7-20-23)22-10-3-2-9(6-18)11(5-10)14(15,16)17;1-8-3-4-10(6-11(8)14(15,16)17)21-12-5-9(2)20-13-18-7-19-22(12)13;1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14;2*1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17;1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13;1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10;1-8-6-11(18-12(16-8)14-7-15-18)17-10-5-3-2-4-9(10)13/h2-6,24H,1H3;2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;3*2-6,21H,1H3;2*3-7,18H,1-2H3;2-6,18H,1H3;2*2-7,17H,1H3
InChIKeyAZGSYDQUQIYQIE-UHFFFAOYSA-N
XLogP37.05
TPSA685.11 Ų
H-Bond Donors12
H-Bond Acceptors61
Rotatable Bonds24
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003513.45
LogP ≤ 537.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1061

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile (CID 157277454) is N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile is Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C(F)(F)F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2cccc(F)c2)n2ncnc2n1.Cc1cc(Nc2ccccc2F)n2ncnc2n1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is AZGSYDQUQIYQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5.C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H9F4N5.2C13H12FN5.C12H9F2N5.2C12H10FN5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-4-12(23-13(21-8)19-7-20-23)22-10-3-2-9(6-18)11(5-10)14(15,16)17;1-8-3-4-10(6-11(8)14(15,16)17)21-12-5-9(2)20-13-18-7-19-22(12)13;1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14;2*1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17;1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13;1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10;1-8-6-11(18-12(16-8)14-7-15-18)17-10-5-3-2-4-9(10)13/h2-6,24H,1H3;2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;3*2-6,21H,1H3;2*3-7,18H,1-2H3;2-6,18H,1H3;2*2-7,17H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile?
N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 3513.45 g/mol, XLogP of 37.05, 24 rotatable bonds, 12 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 157277454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).