4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine

C93H88N42O6 — CID 157354141

About 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine

4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 157354141) has the molecular formula C93H88N42O6 and a molecular weight of 1890.01 g/mol. Its IUPAC name is 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 157354141
• Molecular Formula: C93H88N42O6
• Molecular Weight: 1890.01 g/mol
• Exact Mass: 1888.79
• IUPAC Name: 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: COc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1.Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)nc(C)n3)n2)c1.Nc1nc(Nc2ccc(O)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccc([NH+]([O-])[O-])cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccccc2[NH+](O)O)nn1-c1cc(Nc2ccccc2)ncn1
• InChI: InChI=1S/C20H20N8.C19H18N8O.C18H17N9O2.C18H16N9O2.C18H16N8O/c1-13-7-6-10-16(11-13)25-20-26-19(21)28(27-20)18-12-17(22-14(2)23-18)24-15-8-4-3-5-9-15;1-28-15-9-7-14(8-10-15)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-13-5-3-2-4-6-13;19-17-24-18(23-13-8-4-5-9-14(13)27(28)29)25-26(17)16-10-15(20-11-21-16)22-12-6-2-1-3-7-12;19-17-24-18(23-13-6-8-14(9-7-13)27(28)29)25-26(17)16-10-15(20-11-21-16)22-12-4-2-1-3-5-12;19-17-24-18(23-13-6-8-14(27)9-7-13)25-26(17)16-10-15(20-11-21-16)22-12-4-2-1-3-5-12/h3-12H,1-2H3,(H,22,23,24)(H3,21,25,26,27);2-12H,1H3,(H,21,22,23)(H3,20,24,25,26);1-11,28-29H,(H,20,21,22)(H3,19,23,24,25);1-11,27H,(H,20,21,22)(H3,19,23,24,25);1-11,27H,(H,20,21,22)(H3,19,23,24,25)/q;;;-1;/p+1
• InChIKey: BHWMWGWEBSUHEN-UHFFFAOYSA-O
• XLogP: 12.77
• TPSA: 657.77 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 46
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.01
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 157354141) is 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1.Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)nc(C)n3)n2)c1.Nc1nc(Nc2ccc(O)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccc([NH+]([O-])[O-])cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccccc2[NH+](O)O)nn1-c1cc(Nc2ccccc2)ncn1.

What is the InChIKey of 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is BHWMWGWEBSUHEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N8.C19H18N8O.C18H17N9O2.C18H16N9O2.C18H16N8O/c1-13-7-6-10-16(11-13)25-20-26-19(21)28(27-20)18-12-17(22-14(2)23-18)24-15-8-4-3-5-9-15;1-28-15-9-7-14(8-10-15)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-13-5-3-2-4-6-13;19-17-24-18(23-13-8-4-5-9-14(13)27(28)29)25-26(17)16-10-15(20-11-21-16)22-12-6-2-1-3-7-12;19-17-24-18(23-13-6-8-14(9-7-13)27(28)29)25-26(17)16-10-15(20-11-21-16)22-12-4-2-1-3-5-12;19-17-24-18(23-13-6-8-14(27)9-7-13)25-26(17)16-10-15(20-11-21-16)22-12-4-2-1-3-5-12/h3-12H,1-2H3,(H,22,23,24)(H3,21,25,26,27);2-12H,1H3,(H,21,22,23)(H3,20,24,25,26);1-11,28-29H,(H,20,21,22)(H3,19,23,24,25);1-11,27H,(H,20,21,22)(H3,19,23,24,25);1-11,27H,(H,20,21,22)(H3,19,23,24,25)/q;;;-1;/p+1.

What are the key properties of 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine?

4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1890.01 g/mol, XLogP of 12.77, 28 rotatable bonds, 20 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenol;[2-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dihydroxyazanium;[4-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]-dioxidoazanium;1-(6-anilino-2-methylpyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157354141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).