N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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

C89H91ClF5N29O — CID 157404048

IUPACN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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
SMILESCCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)C)nc2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(CC4CC4)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-11-3-7-14(8-4-11)19-16-9-12(2)18-17-20-15(21-22(16)17)10-13-5-6-13;1-8(2)15-21-16-19-9(3)5-14(23(16)22-15)20-11-6-12(17)10(4)13(18)7-11;1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h3-4,7-9,13,19H,5-6,10H2,1-2H3;5-8,20H,1-4H3;4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3
InChIKeyBNMUQFRAUKFLEI-UHFFFAOYSA-N
MW1713.35 g/mol
LogP19.86
Rot. Bonds18

About N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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

N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 (PubChem CID 157404048) has the molecular formula C89H91ClF5N29O and a molecular weight of 1713.35 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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
PubChem CID157404048
Molecular FormulaC89H91ClF5N29O
Molecular Weight1713.35 g/mol
Exact Mass1711.76
IUPAC NameN-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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
SMILESCCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)C)nc2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(CC4CC4)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-11-3-7-14(8-4-11)19-16-9-12(2)18-17-20-15(21-22(16)17)10-13-5-6-13;1-8(2)15-21-16-19-9(3)5-14(23(16)22-15)20-11-6-12(17)10(4)13(18)7-11;1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h3-4,7-9,13,19H,5-6,10H2,1-2H3;5-8,20H,1-4H3;4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3
InChIKeyBNMUQFRAUKFLEI-UHFFFAOYSA-N
XLogP19.86
TPSA327.00 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.35
LogP ≤ 519.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 with MolForge

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Related Compounds

1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
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
8-Chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-phenylpiperazin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157499716
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 157562477
5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;6-(2-propylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 157760778
1-(4-Chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-(3,3-difluoropyrrolidin-1-yl)pyrazolo[5,4-c]pyridine;1-(2,4-dimethylphenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(2-fluoro-4-methylphenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(6-methyl-3-pyridinyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
CID 157770690
5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 157934794
4-N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine;2-(3-tert-butylpyrazol-1-yl)-4-[(4-fluorophenyl)methyl]-6-methylpyrimidine;N-[4-chloro-3-(1,1-difluoroethyl)phenyl]-6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propylpurin-2-amine;1-[1-[4-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;2-(3-ethylpyrazol-1-yl)-4-[(4-fluorophenyl)methyl]-6-methylpyrimidine
CID 157964507
4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158125607
8-[2-(Difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 158323489
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-[2-(3-chlorophenyl)-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 158506090
6-chloro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-imidazol-1-yl-2-propan-2-ylimidazo[1,2-b]pyridazine;6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;4-(2-propan-2-ylimidazo[1,2-b]pyridazin-6-yl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158808089

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 (CID 157404048) is N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 is CCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)C)nc2n1.Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(CC4CC4)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nccn23)cc1.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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?
The InChIKey is BNMUQFRAUKFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.C14H14N4.C12H9ClFN5/c1-11-3-7-14(8-4-11)19-16-9-12(2)18-17-20-15(21-22(16)17)10-13-5-6-13;1-8(2)15-21-16-19-9(3)5-14(23(16)22-15)20-11-6-12(17)10(4)13(18)7-11;1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-10-3-5-12(6-4-10)17-13-9-11(2)16-14-15-7-8-18(13)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h3-4,7-9,13,19H,5-6,10H2,1-2H3;5-8,20H,1-4H3;4-8,19H,1-3H3;5-9,17H,4H2,1-3H3;3-9,17H,1-2H3;2-6,18H,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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?
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 has a molecular weight of 1713.35 g/mol, XLogP of 19.86, 18 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-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 is sourced from PubChem (CID 157404048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).