N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

C194H175Cl2FN44O11 — CID 159333322

IUPACN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1
InChIInChI=1S/C24H23N5O.C22H20ClN5O.C22H20FN5O.3C22H21N5O.C21H19N5O.C20H16N4O2.C19H14ClN5O2/c1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-13-12-18(10-11-24-13)29-17-6-4-16(5-7-17)21-26-22(28-27-21)25-20-9-8-19(23)14(2)15(20)3;1-14-4-7-18(12-15(14)2)24-22-25-21(26-27-22)17-5-8-19(9-6-17)28-20-10-11-23-16(3)13-20;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-14-5-4-6-20(16(14)3)24-22-25-21(26-27-22)17-7-9-18(10-8-17)28-19-11-12-23-15(2)13-19;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);2*4-12H,1-3H3,(H2,25,26,27,28);3*4-13H,1-3H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,24,25,26);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25)
InChIKeyLFFLYAMKASXRQW-UHFFFAOYSA-N
MW3388.73 g/mol
LogP48.04
Rot. Bonds45

About N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 159333322) has the molecular formula C194H175Cl2FN44O11 and a molecular weight of 3388.73 g/mol. Its IUPAC name is N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
PubChem CID159333322
Molecular FormulaC194H175Cl2FN44O11
Molecular Weight3388.73 g/mol
Exact Mass3385.38
IUPAC NameN-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1
InChIInChI=1S/C24H23N5O.C22H20ClN5O.C22H20FN5O.3C22H21N5O.C21H19N5O.C20H16N4O2.C19H14ClN5O2/c1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-13-12-18(10-11-24-13)29-17-6-4-16(5-7-17)21-26-22(28-27-21)25-20-9-8-19(23)14(2)15(20)3;1-14-4-7-18(12-15(14)2)24-22-25-21(26-27-22)17-5-8-19(9-6-17)28-20-10-11-23-16(3)13-20;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-14-5-4-6-20(16(14)3)24-22-25-21(26-27-22)17-7-9-18(10-8-17)28-19-11-12-23-15(2)13-19;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);2*4-12H,1-3H3,(H2,25,26,27,28);3*4-13H,1-3H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,24,25,26);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25)
InChIKeyLFFLYAMKASXRQW-UHFFFAOYSA-N
XLogP48.04
TPSA689.07 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003388.73
LogP ≤ 548.04
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (CID 159333322) is N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)ccn1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)ccn1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccncc4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4nccc(Cl)n4)cc3)o2)c1.
What is the InChIKey of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is LFFLYAMKASXRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.C22H20ClN5O.C22H20FN5O.3C22H21N5O.C21H19N5O.C20H16N4O2.C19H14ClN5O2/c1-16-15-20(13-14-25-16)30-19-11-9-18(10-12-19)23-27-24(29-28-23)26-22-8-4-6-17-5-2-3-7-21(17)22;1-13-10-17(11-14(2)20(13)23)25-22-26-21(27-28-22)16-4-6-18(7-5-16)29-19-8-9-24-15(3)12-19;1-13-12-18(10-11-24-13)29-17-6-4-16(5-7-17)21-26-22(28-27-21)25-20-9-8-19(23)14(2)15(20)3;1-14-4-7-18(12-15(14)2)24-22-25-21(26-27-22)17-5-8-19(9-6-17)28-20-10-11-23-16(3)13-20;1-14-10-15(2)12-18(11-14)24-22-25-21(26-27-22)17-4-6-19(7-5-17)28-20-8-9-23-16(3)13-20;1-14-5-4-6-20(16(14)3)24-22-25-21(26-27-22)17-7-9-18(10-8-17)28-19-11-12-23-15(2)13-19;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-14-3-2-4-16(13-14)22-20-24-23-19(26-20)15-5-7-17(8-6-15)25-18-9-11-21-12-10-18;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-18-21-10-9-16(20)23-18/h4,6,8-15H,2-3,5,7H2,1H3,(H2,26,27,28,29);2*4-12H,1-3H3,(H2,25,26,27,28);3*4-13H,1-3H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,24,25,26);2-13H,1H3,(H,22,24);2-11H,1H3,(H,22,25).
What are the key properties of N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?
N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 3388.73 g/mol, XLogP of 48.04, 45 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;5-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159333322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).