8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C183H134ClF29N62O2 — CID 158064756

IUPAC8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)c1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.CCc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.COc1ccc(-c2nc(N)n3ncnc3c2-c2cc(C)nc(C(F)(F)F)c2)cc1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3cc(F)cc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(Cl)n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2ncnn12
InChIInChI=1S/C20H17F3N6.2C19H15F3N6O.C19H15F3N6.2C18H11F5N6.C18H12F4N6.C18H13F3N6.C17H13ClN6.C17H12N8/c1-11(2)14-8-13(9-15(27-14)20(21,22)23)16-17(12-6-4-3-5-7-12)28-19(24)29-18(16)25-10-26-29;1-10-7-12(8-14(26-10)19(20,21)22)15-16(11-3-5-13(29-2)6-4-11)27-18(23)28-17(15)24-9-25-28;1-10-7-11(8-14(26-10)19(20,21)22)15-16(12-5-3-4-6-13(12)29-2)27-18(23)28-17(15)24-9-25-28;1-2-13-8-12(9-14(26-13)19(20,21)22)15-16(11-6-4-3-5-7-11)27-18(23)28-17(15)24-10-25-28;1-8-2-9(5-13(27-8)18(21,22)23)14-15(10-3-11(19)6-12(20)4-10)28-17(24)29-16(14)25-7-26-29;1-8-5-9(6-12(27-8)18(21,22)23)13-15(10-3-2-4-11(19)14(10)20)28-17(24)29-16(13)25-7-26-29;1-9-5-11(7-13(26-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)27-17(23)28-16(14)24-8-25-28;1-10-7-12(8-13(25-10)18(19,20)21)14-15(11-5-3-2-4-6-11)26-17(22)27-16(14)23-9-24-27;1-10-7-12(8-13(18)22-10)14-15(11-5-3-2-4-6-11)23-17(19)24-16(14)20-9-21-24;18-17-21-15(10-4-2-1-3-5-10)14(16-19-9-20-25(16)17)11-6-7-12-13(8-11)23-24-22-12/h3-11H,1-2H3,(H2,24,28);2*3-9H,1-2H3,(H2,23,27);3-10H,2H2,1H3,(H2,23,27);2*2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);2-9H,1H3,(H2,22,26);2-9H,1H3,(H2,19,23);1-9H,(H2,18,21)(H,22,23,24)
InChIKeyFLBWZMHMSXOQJT-UHFFFAOYSA-N
MW3819.91 g/mol
LogP37.59
Rot. Bonds24

About 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 158064756) has the molecular formula C183H134ClF29N62O2 and a molecular weight of 3819.91 g/mol. Its IUPAC name is 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID158064756
Molecular FormulaC183H134ClF29N62O2
Molecular Weight3819.91 g/mol
Exact Mass3817.15
IUPAC Name8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)c1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.CCc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.COc1ccc(-c2nc(N)n3ncnc3c2-c2cc(C)nc(C(F)(F)F)c2)cc1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3cc(F)cc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(Cl)n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2ncnn12
InChIInChI=1S/C20H17F3N6.2C19H15F3N6O.C19H15F3N6.2C18H11F5N6.C18H12F4N6.C18H13F3N6.C17H13ClN6.C17H12N8/c1-11(2)14-8-13(9-15(27-14)20(21,22)23)16-17(12-6-4-3-5-7-12)28-19(24)29-18(16)25-10-26-29;1-10-7-12(8-14(26-10)19(20,21)22)15-16(11-3-5-13(29-2)6-4-11)27-18(23)28-17(15)24-9-25-28;1-10-7-11(8-14(26-10)19(20,21)22)15-16(12-5-3-4-6-13(12)29-2)27-18(23)28-17(15)24-9-25-28;1-2-13-8-12(9-14(26-13)19(20,21)22)15-16(11-6-4-3-5-7-11)27-18(23)28-17(15)24-10-25-28;1-8-2-9(5-13(27-8)18(21,22)23)14-15(10-3-11(19)6-12(20)4-10)28-17(24)29-16(14)25-7-26-29;1-8-5-9(6-12(27-8)18(21,22)23)13-15(10-3-2-4-11(19)14(10)20)28-17(24)29-16(13)25-7-26-29;1-9-5-11(7-13(26-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)27-17(23)28-16(14)24-8-25-28;1-10-7-12(8-13(25-10)18(19,20)21)14-15(11-5-3-2-4-6-11)26-17(22)27-16(14)23-9-24-27;1-10-7-12(8-13(18)22-10)14-15(11-5-3-2-4-6-11)23-17(19)24-16(14)20-9-21-24;18-17-21-15(10-4-2-1-3-5-10)14(16-19-9-20-25(16)17)11-6-7-12-13(8-11)23-24-22-12/h3-11H,1-2H3,(H2,24,28);2*3-9H,1-2H3,(H2,23,27);3-10H,2H2,1H3,(H2,23,27);2*2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);2-9H,1H3,(H2,22,26);2-9H,1H3,(H2,19,23);1-9H,(H2,18,21)(H,22,23,24)
InChIKeyFLBWZMHMSXOQJT-UHFFFAOYSA-N
XLogP37.59
TPSA867.04 Ų
H-Bond Donors11
H-Bond Acceptors63
Rotatable Bonds24
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003819.91
LogP ≤ 537.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1063

Analyze 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[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 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 158064756) is 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)c1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.CCc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.COc1ccc(-c2nc(N)n3ncnc3c2-c2cc(C)nc(C(F)(F)F)c2)cc1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3cc(F)cc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3cccc(F)c3F)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ncnc23)cc(Cl)n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2ncnn12.
What is the InChIKey of 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is FLBWZMHMSXOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6.2C19H15F3N6O.C19H15F3N6.2C18H11F5N6.C18H12F4N6.C18H13F3N6.C17H13ClN6.C17H12N8/c1-11(2)14-8-13(9-15(27-14)20(21,22)23)16-17(12-6-4-3-5-7-12)28-19(24)29-18(16)25-10-26-29;1-10-7-12(8-14(26-10)19(20,21)22)15-16(11-3-5-13(29-2)6-4-11)27-18(23)28-17(15)24-9-25-28;1-10-7-11(8-14(26-10)19(20,21)22)15-16(12-5-3-4-6-13(12)29-2)27-18(23)28-17(15)24-9-25-28;1-2-13-8-12(9-14(26-13)19(20,21)22)15-16(11-6-4-3-5-7-11)27-18(23)28-17(15)24-10-25-28;1-8-2-9(5-13(27-8)18(21,22)23)14-15(10-3-11(19)6-12(20)4-10)28-17(24)29-16(14)25-7-26-29;1-8-5-9(6-12(27-8)18(21,22)23)13-15(10-3-2-4-11(19)14(10)20)28-17(24)29-16(13)25-7-26-29;1-9-5-11(7-13(26-9)18(20,21)22)14-15(10-3-2-4-12(19)6-10)27-17(23)28-16(14)24-8-25-28;1-10-7-12(8-13(25-10)18(19,20)21)14-15(11-5-3-2-4-6-11)26-17(22)27-16(14)23-9-24-27;1-10-7-12(8-13(18)22-10)14-15(11-5-3-2-4-6-11)23-17(19)24-16(14)20-9-21-24;18-17-21-15(10-4-2-1-3-5-10)14(16-19-9-20-25(16)17)11-6-7-12-13(8-11)23-24-22-12/h3-11H,1-2H3,(H2,24,28);2*3-9H,1-2H3,(H2,23,27);3-10H,2H2,1H3,(H2,23,27);2*2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);2-9H,1H3,(H2,22,26);2-9H,1H3,(H2,19,23);1-9H,(H2,18,21)(H,22,23,24).
What are the key properties of 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 3819.91 g/mol, XLogP of 37.59, 24 rotatable bonds, 11 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,3-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3,5-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-ethyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-methoxyphenyl)-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-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 158064756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).