7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C119H141F6N31O9 — CID 158249713

IUPAC7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1cc(C2CCOCC2)n2nc(NCc3ccc(OC)cc3)nc2n1.COc1ccc(CNc2nc3nc(C)cc(C4CCC(F)(F)CC4)n3n2)cc1.COc1ccc(CNc2nc3nc(C)cc(C4CCN(C(C)=O)CC4)n3n2)cc1C(F)F.COc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1cccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1
InChIInChI=1S/C22H26F2N6O2.C20H23F2N5O.C20H25N5O2.C19H22FN5O2.C19H22FN5O.C19H23N5O/c1-13-10-18(16-6-8-29(9-7-16)14(2)31)30-22(26-13)27-21(28-30)25-12-15-4-5-19(32-3)17(11-15)20(23)24;1-13-11-17(15-7-9-20(21,22)10-8-15)27-19(24-13)25-18(26-27)23-12-14-3-5-16(28-2)6-4-14;1-3-16-12-18(15-8-10-27-11-9-15)25-20(22-16)23-19(24-25)21-13-14-4-6-17(26-2)7-5-14;1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-10-15(26-2)3-4-16(14)20;1-12-3-4-16(20)15(9-12)11-21-18-23-19-22-13(2)10-17(25(19)24-18)14-5-7-26-8-6-14;1-13-4-3-5-15(10-13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)16-6-8-25-9-7-16/h4-5,10-11,16,20H,6-9,12H2,1-3H3,(H,25,28);3-6,11,15H,7-10,12H2,1-2H3,(H,23,26);4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,24);3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24);3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,24);3-5,10-11,16H,6-9,12H2,1-2H3,(H,20,23)
InChIKeyGGOHGTDEHWYHOY-UHFFFAOYSA-N
MW2263.63 g/mol
LogP20.98
Rot. Bonds30

About 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 158249713) has the molecular formula C119H141F6N31O9 and a molecular weight of 2263.63 g/mol. Its IUPAC name is 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID158249713
Molecular FormulaC119H141F6N31O9
Molecular Weight2263.63 g/mol
Exact Mass2262.14
IUPAC Name7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1cc(C2CCOCC2)n2nc(NCc3ccc(OC)cc3)nc2n1.COc1ccc(CNc2nc3nc(C)cc(C4CCC(F)(F)CC4)n3n2)cc1.COc1ccc(CNc2nc3nc(C)cc(C4CCN(C(C)=O)CC4)n3n2)cc1C(F)F.COc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1cccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1
InChIInChI=1S/C22H26F2N6O2.C20H23F2N5O.C20H25N5O2.C19H22FN5O2.C19H22FN5O.C19H23N5O/c1-13-10-18(16-6-8-29(9-7-16)14(2)31)30-22(26-13)27-21(28-30)25-12-15-4-5-19(32-3)17(11-15)20(23)24;1-13-11-17(15-7-9-20(21,22)10-8-15)27-19(24-13)25-18(26-27)23-12-14-3-5-16(28-2)6-4-14;1-3-16-12-18(15-8-10-27-11-9-15)25-20(22-16)23-19(24-25)21-13-14-4-6-17(26-2)7-5-14;1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-10-15(26-2)3-4-16(14)20;1-12-3-4-16(20)15(9-12)11-21-18-23-19-22-13(2)10-17(25(19)24-18)14-5-7-26-8-6-14;1-13-4-3-5-15(10-13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)16-6-8-25-9-7-16/h4-5,10-11,16,20H,6-9,12H2,1-3H3,(H,25,28);3-6,11,15H,7-10,12H2,1-2H3,(H,23,26);4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,24);3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24);3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,24);3-5,10-11,16H,6-9,12H2,1-2H3,(H,20,23)
InChIKeyGGOHGTDEHWYHOY-UHFFFAOYSA-N
XLogP20.98
TPSA424.81 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002263.63
LogP ≤ 520.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

5-[2-[4-[[[5-(difluoromethyl)-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]phenoxy]ethyl]-N-[(2-fluoro-5-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 145077930
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
(3E)-3-[[7-(cyclopropylamino)-5-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 158200963
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-morpholin-4-ylpropanamide;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158575134
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158838612
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159279284
2-[5,7-ditert-butyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide;N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[5-methyl-2-(4-propoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[5,7-di(propan-2-yl)-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 160296100
7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-[4-[2-[[3-(difluoromethyl)phenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;N-[(2-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 160358869
[3-(1,1-Difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 160558532
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161310149
7-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
CID 161383237

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 158249713) is 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCc1cc(C2CCOCC2)n2nc(NCc3ccc(OC)cc3)nc2n1.COc1ccc(CNc2nc3nc(C)cc(C4CCC(F)(F)CC4)n3n2)cc1.COc1ccc(CNc2nc3nc(C)cc(C4CCN(C(C)=O)CC4)n3n2)cc1C(F)F.COc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1ccc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.Cc1cccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1.
What is the InChIKey of 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is GGOHGTDEHWYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2.C20H23F2N5O.C20H25N5O2.C19H22FN5O2.C19H22FN5O.C19H23N5O/c1-13-10-18(16-6-8-29(9-7-16)14(2)31)30-22(26-13)27-21(28-30)25-12-15-4-5-19(32-3)17(11-15)20(23)24;1-13-11-17(15-7-9-20(21,22)10-8-15)27-19(24-13)25-18(26-27)23-12-14-3-5-16(28-2)6-4-14;1-3-16-12-18(15-8-10-27-11-9-15)25-20(22-16)23-19(24-25)21-13-14-4-6-17(26-2)7-5-14;1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-10-15(26-2)3-4-16(14)20;1-12-3-4-16(20)15(9-12)11-21-18-23-19-22-13(2)10-17(25(19)24-18)14-5-7-26-8-6-14;1-13-4-3-5-15(10-13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)16-6-8-25-9-7-16/h4-5,10-11,16,20H,6-9,12H2,1-3H3,(H,25,28);3-6,11,15H,7-10,12H2,1-2H3,(H,23,26);4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,24);3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24);3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,24);3-5,10-11,16H,6-9,12H2,1-2H3,(H,20,23).
What are the key properties of 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2263.63 g/mol, XLogP of 20.98, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluorocyclohexyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;1-[4-[2-[[3-(difluoromethyl)-4-methoxyphenyl]methylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone;5-ethyl-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 158249713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).