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

C75H77ClF5N25O — CID 158867279

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
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.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.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;1-7-4-11(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;2-6,18H,1H3
InChIKeyJBJXWXJBWNDRPQ-UHFFFAOYSA-N
MW1475.06 g/mol
LogP16.77
Rot. Bonds16

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

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 (PubChem CID 158867279) has the molecular formula C75H77ClF5N25O and a molecular weight of 1475.06 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.

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
PubChem CID158867279
Molecular FormulaC75H77ClF5N25O
Molecular Weight1475.06 g/mol
Exact Mass1473.64
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
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.Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.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;1-7-4-11(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;2-6,18H,1H3
InChIKeyJBJXWXJBWNDRPQ-UHFFFAOYSA-N
XLogP16.77
TPSA284.78 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.06
LogP ≤ 516.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157285649
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
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
bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2,5-dimethyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-[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;2-(2-fluoropropan-2-yl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157713286
(4E)-4-[[5-(3-chloro-4-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157983017
2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158433463
2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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);5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158645531
bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 159037048
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159235988
5-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-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;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159263833
N-[4-[3-(5-chloro-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159449952
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-dimethylphenyl)-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;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 159487499

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?
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 (CID 158867279) 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.
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?
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 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.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?
The InChIKey is JBJXWXJBWNDRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.C16H17F2N5.C15H15F2N5.C15H17N5O.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;1-7-4-11(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;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?
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 has a molecular weight of 1475.06 g/mol, XLogP of 16.77, 16 rotatable bonds, 5 hydrogen bond donors, and 26 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 is sourced from PubChem (CID 158867279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).