4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C158H108ClF29N58O2 — CID 157426545

IUPAC4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C#N)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(O)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccn3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccnc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccncc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C19H12F3N7.C18H12ClF3N6.2C18H12F4N6.C18H13F3N6O.3C17H12F3N7.C16H11F3N6O/c1-10-6-13(7-14(27-10)19(20,21)22)15-16(12-4-2-11(8-23)3-5-12)28-18(24)29-17(15)25-9-26-29;2*1-9-6-11(7-13(26-9)18(20,21)22)14-15(10-2-4-12(19)5-3-10)27-17(23)28-16(14)24-8-25-28;1-9-6-10(7-13(26-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)27-17(23)28-16(14)24-8-25-28;1-9-6-11(7-13(25-9)18(19,20)21)14-15(10-2-4-12(28)5-3-10)26-17(22)27-16(14)23-8-24-27;1-9-6-11(7-12(25-9)17(18,19)20)13-14(10-2-4-22-5-3-10)26-16(21)27-15(13)23-8-24-27;1-9-5-11(6-12(25-9)17(18,19)20)13-14(10-3-2-4-22-7-10)26-16(21)27-15(13)23-8-24-27;1-9-6-10(7-12(25-9)17(18,19)20)13-14(11-4-2-3-5-22-11)26-16(21)27-15(13)23-8-24-27;1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7,9H,1H3,(H2,24,28);3*2-8H,1H3,(H2,23,27);2-8,28H,1H3,(H2,22,26);3*2-8H,1H3,(H2,21,26);2-7H,1H3,(H2,20,24)
InChIKeyBQAHYCSQYJBYRX-UHFFFAOYSA-N
MW3437.40 g/mol
LogP32.15
Rot. Bonds18

About 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 157426545) has the molecular formula C158H108ClF29N58O2 and a molecular weight of 3437.40 g/mol. Its IUPAC name is 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID157426545
Molecular FormulaC158H108ClF29N58O2
Molecular Weight3437.40 g/mol
Exact Mass3434.94
IUPAC Name4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C#N)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(O)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccn3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccnc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccncc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C19H12F3N7.C18H12ClF3N6.2C18H12F4N6.C18H13F3N6O.3C17H12F3N7.C16H11F3N6O/c1-10-6-13(7-14(27-10)19(20,21)22)15-16(12-4-2-11(8-23)3-5-12)28-18(24)29-17(15)25-9-26-29;2*1-9-6-11(7-13(26-9)18(20,21)22)14-15(10-2-4-12(19)5-3-10)27-17(23)28-16(14)24-8-25-28;1-9-6-10(7-13(26-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)27-17(23)28-16(14)24-8-25-28;1-9-6-11(7-13(25-9)18(19,20)21)14-15(10-2-4-12(28)5-3-10)26-17(22)27-16(14)23-8-24-27;1-9-6-11(7-12(25-9)17(18,19)20)13-14(10-2-4-22-5-3-10)26-16(21)27-15(13)23-8-24-27;1-9-5-11(6-12(25-9)17(18,19)20)13-14(10-3-2-4-22-7-10)26-16(21)27-15(13)23-8-24-27;1-9-6-10(7-12(25-9)17(18,19)20)13-14(11-4-2-3-5-22-11)26-16(21)27-15(13)23-8-24-27;1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7,9H,1H3,(H2,24,28);3*2-8H,1H3,(H2,23,27);2-8,28H,1H3,(H2,22,26);3*2-8H,1H3,(H2,21,26);2-7H,1H3,(H2,20,24)
InChIKeyBQAHYCSQYJBYRX-UHFFFAOYSA-N
XLogP32.15
TPSA833.74 Ų
H-Bond Donors10
H-Bond Acceptors60
Rotatable Bonds18
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003437.40
LogP ≤ 532.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1060

Analyze 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 157426545) is 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(C#N)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(O)cc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccn3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccnc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccncc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BQAHYCSQYJBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N7.C18H12ClF3N6.2C18H12F4N6.C18H13F3N6O.3C17H12F3N7.C16H11F3N6O/c1-10-6-13(7-14(27-10)19(20,21)22)15-16(12-4-2-11(8-23)3-5-12)28-18(24)29-17(15)25-9-26-29;2*1-9-6-11(7-13(26-9)18(20,21)22)14-15(10-2-4-12(19)5-3-10)27-17(23)28-16(14)24-8-25-28;1-9-6-10(7-13(26-9)18(20,21)22)14-15(11-4-2-3-5-12(11)19)27-17(23)28-16(14)24-8-25-28;1-9-6-11(7-13(25-9)18(19,20)21)14-15(10-2-4-12(28)5-3-10)26-17(22)27-16(14)23-8-24-27;1-9-6-11(7-12(25-9)17(18,19)20)13-14(10-2-4-22-5-3-10)26-16(21)27-15(13)23-8-24-27;1-9-5-11(6-12(25-9)17(18,19)20)13-14(10-3-2-4-22-7-10)26-16(21)27-15(13)23-8-24-27;1-9-6-10(7-12(25-9)17(18,19)20)13-14(11-4-2-3-5-22-11)26-16(21)27-15(13)23-8-24-27;1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7,9H,1H3,(H2,24,28);3*2-8H,1H3,(H2,23,27);2-8,28H,1H3,(H2,22,26);3*2-8H,1H3,(H2,21,26);2-7H,1H3,(H2,20,24).
What are the key properties of 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 3437.40 g/mol, XLogP of 32.15, 18 rotatable bonds, 10 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile;4-[5-amino-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenol;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 157426545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).