[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C63H60N24O6 — CID 159576256

About [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 159576256) has the molecular formula C63H60N24O6 and a molecular weight of 1249.33 g/mol. Its IUPAC name is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 159576256
• Molecular Formula: C63H60N24O6
• Molecular Weight: 1249.33 g/mol
• Exact Mass: 1248.51
• IUPAC Name: [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: COC(=O)c1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.Nc1nc(Nc2ccc(CO)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(Oc3ccccc3)cc2)nn1-c1ccccn1
• InChI: InChI=1S/C19H16N6O.C15H16N6O2.C15H14N6O2.C14H14N6O/c20-18-23-19(24-25(18)17-8-4-5-13-21-17)22-14-9-11-16(12-10-14)26-15-6-2-1-3-7-15;1-22-11-7-6-10(9-12(11)23-2)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13;1-23-13(22)10-5-4-6-11(9-10)18-15-19-14(16)21(20-15)12-7-2-3-8-17-12;15-13-18-14(17-11-6-4-10(9-21)5-7-11)19-20(13)12-3-1-2-8-16-12/h1-13H,(H3,20,22,23,24);3-9H,1-2H3,(H3,16,18,19,20);2-9H,1H3,(H3,16,18,19,20);1-8,21H,9H2,(H3,15,17,18,19)
• InChIKey: MILDZDDYHPPHJN-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 400.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1249.33
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 159576256) is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COC(=O)c1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.Nc1nc(Nc2ccc(CO)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(Oc3ccccc3)cc2)nn1-c1ccccn1.

What is the InChIKey of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is MILDZDDYHPPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O.C15H16N6O2.C15H14N6O2.C14H14N6O/c20-18-23-19(24-25(18)17-8-4-5-13-21-17)22-14-9-11-16(12-10-14)26-15-6-2-1-3-7-15;1-22-11-7-6-10(9-12(11)23-2)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13;1-23-13(22)10-5-4-6-11(9-10)18-15-19-14(16)21(20-15)12-7-2-3-8-17-12;15-13-18-14(17-11-6-4-10(9-21)5-7-11)19-20(13)12-3-1-2-8-16-12/h1-13H,(H3,20,22,23,24);3-9H,1-2H3,(H3,16,18,19,20);2-9H,1H3,(H3,16,18,19,20);1-8,21H,9H2,(H3,15,17,18,19).

What are the key properties of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1249.33 g/mol, XLogP of 9.04, 18 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]methanol;3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;methyl 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]benzoate;3-N-(4-phenoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159576256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).