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

C81H66BrClF13N31 — CID 159487499

IUPACN-[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
SMILESCc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1
InChIInChI=1S/C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H12FN5/c1-8-4-12(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;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13/h2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;2*2-6,21H,1H3;3-7,18H,1-2H3
InChIKeyLXTMCNGRFYYXAJ-UHFFFAOYSA-N
MW1835.97 g/mol
LogP19.79
Rot. Bonds12

About 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

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 (PubChem CID 159487499) has the molecular formula C81H66BrClF13N31 and a molecular weight of 1835.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159487499
Molecular FormulaC81H66BrClF13N31
Molecular Weight1835.97 g/mol
Exact Mass1833.48
IUPAC NameN-[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
SMILESCc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1
InChIInChI=1S/C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H12FN5/c1-8-4-12(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;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13/h2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;2*2-6,21H,1H3;3-7,18H,1-2H3
InChIKeyLXTMCNGRFYYXAJ-UHFFFAOYSA-N
XLogP19.79
TPSA354.45 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.97
LogP ≤ 519.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

CID 157277454
CID 157277454
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
5-bromo-2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-2-chloro-3-methylpyridine;2-chloro-6-fluorobenzonitrile;bis(2-(2-chloro-6-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine)
CID 159792487
6-[5-(2-Aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(3-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(5-methyl-1,2,4-triazol-1-yl)pyridine-2-carbonitrile;6-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-chloro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[5-fluoro-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
CID 157726866
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine;3-chloro-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine;3-chloro-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine;N,5-diphenylpyrazolo[1,5-a]pyridin-7-amine;5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
CID 158979246
1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 160682960

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1.Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1.
What is the InChIKey of 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?
The InChIKey is LXTMCNGRFYYXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6.C14H12F3N5.C14H15N5.C13H9BrF3N5.C13H9ClF3N5.C13H12FN5/c1-8-4-12(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;1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13/h2-5,7,22H,1H3;3-7,21H,1-2H3;4-8,18H,1-3H3;2*2-6,21H,1H3;3-7,18H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1835.97 g/mol, XLogP of 19.79, 12 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159487499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).