6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C67H68N28O4S — CID 157083490

About 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 157083490) has the molecular formula C67H68N28O4S and a molecular weight of 1361.54 g/mol. Its IUPAC name is 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 157083490
• Molecular Formula: C67H68N28O4S
• Molecular Weight: 1361.54 g/mol
• Exact Mass: 1360.57
• IUPAC Name: 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• SMILES: CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CC(=O)Nc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1.CCN(CC)c1ccc(Nc2nc(N)n(-c3ccc(C#N)cn3)n2)cc1.COc1ccc(Nc2nc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1OC
• InChI: InChI=1S/C19H18N6O2S.C18H20N8.2C15H15N7O/c1-26-15-9-8-13(10-16(15)27-2)21-18-23-17(20)25(24-18)19-22-14(11-28-19)12-6-4-3-5-7-12;1-3-25(4-2)15-8-6-14(7-9-15)22-18-23-17(20)26(24-18)16-10-5-13(11-19)12-21-16;1-10(23)18-11-5-4-6-12(9-11)19-15-20-14(16)22(21-15)13-7-2-3-8-17-13;1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h3-11H,1-2H3,(H3,20,21,23,24);5-10,12H,3-4H2,1-2H3,(H3,20,22,23,24);2*2-9H,1H3,(H,18,23)(H3,16,19,20,21)
• InChIKey: ADVATWWDKLJJDU-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 430.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1361.54
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 157083490) is 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CC(=O)Nc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1.CCN(CC)c1ccc(Nc2nc(N)n(-c3ccc(C#N)cn3)n2)cc1.COc1ccc(Nc2nc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1OC.

What is the InChIKey of 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The InChIKey is ADVATWWDKLJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S.C18H20N8.2C15H15N7O/c1-26-15-9-8-13(10-16(15)27-2)21-18-23-17(20)25(24-18)19-22-14(11-28-19)12-6-4-3-5-7-12;1-3-25(4-2)15-8-6-14(7-9-15)22-18-23-17(20)26(24-18)16-10-5-13(11-19)12-21-16;1-10(23)18-11-5-4-6-12(9-11)19-15-20-14(16)22(21-15)13-7-2-3-8-17-13;1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h3-11H,1-2H3,(H3,20,21,23,24);5-10,12H,3-4H2,1-2H3,(H3,20,22,23,24);2*2-9H,1H3,(H,18,23)(H3,16,19,20,21).

What are the key properties of 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1361.54 g/mol, XLogP of 10.33, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-[4-(diethylamino)anilino]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;N-[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide;3-N-(3,4-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157083490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).