1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C86H106N30O9 — CID 159725487

About 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 159725487) has the molecular formula C86H106N30O9 and a molecular weight of 1703.99 g/mol. Its IUPAC name is 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 159725487
• Molecular Formula: C86H106N30O9
• Molecular Weight: 1703.99 g/mol
• Exact Mass: 1702.88
• IUPAC Name: 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC1CN(CCCOc2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC(C)O1.COc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c(OC)c1.Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2N2CCOCC2)nn1-c1ccccn1
• InChI: InChI=1S/C24H32N8O3.C22H29N7O2.C20H20N8O2.C20H25N7O2/c25-23-28-24(29-32(23)22-4-1-2-7-26-22)27-20-6-5-19(18-21(20)31-11-16-34-17-12-31)35-13-3-8-30-9-14-33-15-10-30;1-16-14-28(15-17(2)31-16)12-5-13-30-19-9-7-18(8-10-19)25-22-26-21(23)29(27-22)20-6-3-4-11-24-20;1-29-14-8-9-15(16(10-14)30-2)25-20-26-19(21)28(27-20)18-11-17(22-12-23-18)24-13-6-4-3-5-7-13;21-19-24-20(25-27(19)18-4-1-2-9-22-18)23-16-5-7-17(8-6-16)29-13-3-10-26-11-14-28-15-12-26/h1-2,4-7,18H,3,8-17H2,(H3,25,27,28,29);3-4,6-11,16-17H,5,12-15H2,1-2H3,(H3,23,25,26,27);3-12H,1-2H3,(H,22,23,24)(H3,21,25,26,27);1-2,4-9H,3,10-15H2,(H3,21,23,24,25)
• InChIKey: NAOROGZYRHYJBV-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 447.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1703.99
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 159725487) is 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC1CN(CCCOc2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC(C)O1.COc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c(OC)c1.Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2N2CCOCC2)nn1-c1ccccn1.

What is the InChIKey of 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is NAOROGZYRHYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3.C22H29N7O2.C20H20N8O2.C20H25N7O2/c25-23-28-24(29-32(23)22-4-1-2-7-26-22)27-20-6-5-19(18-21(20)31-11-16-34-17-12-31)35-13-3-8-30-9-14-33-15-10-30;1-16-14-28(15-17(2)31-16)12-5-13-30-19-9-7-18(8-10-19)25-22-26-21(23)29(27-22)20-6-3-4-11-24-20;1-29-14-8-9-15(16(10-14)30-2)25-20-26-19(21)28(27-20)18-11-17(22-12-23-18)24-13-6-4-3-5-7-13;21-19-24-20(25-27(19)18-4-1-2-9-22-18)23-16-5-7-17(8-6-16)29-13-3-10-26-11-14-28-15-12-26/h1-2,4-7,18H,3,8-17H2,(H3,25,27,28,29);3-4,6-11,16-17H,5,12-15H2,1-2H3,(H3,23,25,26,27);3-12H,1-2H3,(H,22,23,24)(H3,21,25,26,27);1-2,4-9H,3,10-15H2,(H3,21,23,24,25).

What are the key properties of 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1703.99 g/mol, XLogP of 10.03, 32 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-anilinopyrimidin-4-yl)-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-morpholin-4-yl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159725487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).