N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C98H95F6N35S — CID 157325130

IUPACN-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1.Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
InChIInChI=1S/2C15H17N5.C14H12F3N5.C14H11N5S.C14H15N5.C13H11F2N5.C13H12FN5/c1-9-5-10(2)7-13(6-9)18-14-8-11(3)16-15-17-12(4)19-20(14)15;1-4-13-18-15-16-11(3)9-14(20(15)19-13)17-12-7-5-10(2)6-8-12;1-8-3-5-10(6-4-8)19-11-7-9(2)18-13-20-12(14(15,16)17)21-22(11)13;1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12;1-9-4-6-12(7-5-9)17-13-8-10(2)15-14-16-11(3)18-19(13)14;1-7-3-12(20-13(18-7)16-6-17-20)19-9-4-10(14)8(2)11(15)5-9;1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h5-8,18H,1-4H3;5-9,17H,4H2,1-3H3;3-7,19H,1-2H3;2-8,18H,1H3;4-8,17H,1-3H3;3-6,19H,1-2H3;3-7,17H,1-2H3
InChIKeyBEPWXZXRIIOICX-UHFFFAOYSA-N
MW1909.14 g/mol
LogP21.22
Rot. Bonds15

About N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157325130) has the molecular formula C98H95F6N35S and a molecular weight of 1909.14 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID157325130
Molecular FormulaC98H95F6N35S
Molecular Weight1909.14 g/mol
Exact Mass1907.81
IUPAC NameN-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1.Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
InChIInChI=1S/2C15H17N5.C14H12F3N5.C14H11N5S.C14H15N5.C13H11F2N5.C13H12FN5/c1-9-5-10(2)7-13(6-9)18-14-8-11(3)16-15-17-12(4)19-20(14)15;1-4-13-18-15-16-11(3)9-14(20(15)19-13)17-12-7-5-10(2)6-8-12;1-8-3-5-10(6-4-8)19-11-7-9(2)18-13-20-12(14(15,16)17)21-22(11)13;1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12;1-9-4-6-12(7-5-9)17-13-8-10(2)15-14-16-11(3)18-19(13)14;1-7-3-12(20-13(18-7)16-6-17-20)19-9-4-10(14)8(2)11(15)5-9;1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h5-8,18H,1-4H3;5-9,17H,4H2,1-3H3;3-7,19H,1-2H3;2-8,18H,1H3;4-8,17H,1-3H3;3-6,19H,1-2H3;3-7,17H,1-2H3
InChIKeyBEPWXZXRIIOICX-UHFFFAOYSA-N
XLogP21.22
TPSA385.77 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001909.14
LogP ≤ 521.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157372175
N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157882335
2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158051822
6-[[6-(1-benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;1-hydroxy-6-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-1-ium;6-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
CID 158079807
N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 159281192
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 159462820
N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-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-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 159686373
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 160204100
6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
CID 160632497
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 161989277

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 157325130) is N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1.Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BEPWXZXRIIOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N5.C14H12F3N5.C14H11N5S.C14H15N5.C13H11F2N5.C13H12FN5/c1-9-5-10(2)7-13(6-9)18-14-8-11(3)16-15-17-12(4)19-20(14)15;1-4-13-18-15-16-11(3)9-14(20(15)19-13)17-12-7-5-10(2)6-8-12;1-8-3-5-10(6-4-8)19-11-7-9(2)18-13-20-12(14(15,16)17)21-22(11)13;1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12;1-9-4-6-12(7-5-9)17-13-8-10(2)15-14-16-11(3)18-19(13)14;1-7-3-12(20-13(18-7)16-6-17-20)19-9-4-10(14)8(2)11(15)5-9;1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h5-8,18H,1-4H3;5-9,17H,4H2,1-3H3;3-7,19H,1-2H3;2-8,18H,1H3;4-8,17H,1-3H3;3-6,19H,1-2H3;3-7,17H,1-2H3.
What are the key properties of N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1909.14 g/mol, XLogP of 21.22, 15 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157325130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).