6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine

C88H116N38O6 — CID 159775643

About 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine

6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 159775643) has the molecular formula C88H116N38O6 and a molecular weight of 1802.16 g/mol. Its IUPAC name is 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 159775643
• Molecular Formula: C88H116N38O6
• Molecular Weight: 1802.16 g/mol
• Exact Mass: 1800.99
• IUPAC Name: 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: CCN1CCN(c2cc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)ncn2)CC1.CN(C)CCNC(=O)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)nc1.CN1CCN(C(=O)c2ccc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)nc2)CC1.CN1CCN(c2cc(-n3nc(N)nc3Nc3ccc(N4CCOCC4)cc3)ncn2)CC1
• InChI: InChI=1S/C23H29N9O2.C22H30N10O.C22H29N9O2.C21H28N10O/c1-29-8-10-31(11-9-29)21(33)17-2-7-20(25-16-17)32-22(24)27-23(28-32)26-18-3-5-19(6-4-18)30-12-14-34-15-13-30;1-2-29-7-9-31(10-8-29)19-15-20(25-16-24-19)32-21(23)27-22(28-32)26-17-3-5-18(6-4-17)30-11-13-33-14-12-30;1-29(2)10-9-24-20(32)16-3-8-19(25-15-16)31-21(23)27-22(28-31)26-17-4-6-18(7-5-17)30-11-13-33-14-12-30;1-28-6-8-30(9-7-28)18-14-19(24-15-23-18)31-21(26-20(22)27-31)25-16-2-4-17(5-3-16)29-10-12-32-13-11-29/h2-7,16H,8-15H2,1H3,(H3,24,26,27,28);3-6,15-16H,2,7-14H2,1H3,(H3,23,26,27,28);3-8,15H,9-14H2,1-2H3,(H,24,32)(H3,23,26,27,28);2-5,14-15H,6-13H2,1H3,(H3,22,25,26,27)
• InChIKey: NGRXHWASLNMAFK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 471.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.16
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

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-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine (CID 159775643) is 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine is CCN1CCN(c2cc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)ncn2)CC1.CN(C)CCNC(=O)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)nc1.CN1CCN(C(=O)c2ccc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)nc2)CC1.CN1CCN(c2cc(-n3nc(N)nc3Nc3ccc(N4CCOCC4)cc3)ncn2)CC1.

What is the InChIKey of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is NGRXHWASLNMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2.C22H30N10O.C22H29N9O2.C21H28N10O/c1-29-8-10-31(11-9-29)21(33)17-2-7-20(25-16-17)32-22(24)27-23(28-32)26-18-3-5-19(6-4-18)30-12-14-34-15-13-30;1-2-29-7-9-31(10-8-29)19-15-20(25-16-24-19)32-21(23)27-22(28-32)26-17-3-5-18(6-4-17)30-11-13-33-14-12-30;1-29(2)10-9-24-20(32)16-3-8-19(25-15-16)31-21(23)27-22(28-31)26-17-4-6-18(7-5-17)30-11-13-33-14-12-30;1-28-6-8-30(9-7-28)18-14-19(24-15-23-18)31-21(26-20(22)27-31)25-16-2-4-17(5-3-16)29-10-12-32-13-11-29/h2-7,16H,8-15H2,1H3,(H3,24,26,27,28);3-6,15-16H,2,7-14H2,1H3,(H3,23,26,27,28);3-8,15H,9-14H2,1-2H3,(H,24,32)(H3,23,26,27,28);2-5,14-15H,6-13H2,1H3,(H3,22,25,26,27).

What are the key properties of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1802.16 g/mol, XLogP of 4.66, 24 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;1-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159775643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).