3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol

C144H190N70O28 — CID 158999383

About 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol (PubChem CID 158999383) has the molecular formula C144H190N70O28 and a molecular weight of 3349.57 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol.

Molecular Properties

• Compound Name: 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol
• PubChem CID: 158999383
• Molecular Formula: C144H190N70O28
• Molecular Weight: 3349.57 g/mol
• Exact Mass: 3347.56
• IUPAC Name: 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol
• SMILES: CN(C)c1n[nH]c(N(C)CCc2ccc(O)c(O)c2)n1.CN(C)c1n[nH]c(N(C)c2cccc(O)c2O)n1.CN(C)c1n[nH]c(NCCc2ccc(O)c(O)c2)n1.CN(C)c1n[nH]c(Nc2cccc(O)c2O)n1.CN(C)c1nnc(NCCc2ccc(O)c(O)c2)n1C.CN(C)c1nnc(Nc2cccc(O)c2O)n1C.CN(Cc1cccc(O)c1O)c1n[nH]c(N)n1.CN(c1cccc(O)c1O)c1nnc(N)n1C.CN(c1n[nH]c(N)n1)c1cccc(O)c1O.CNc1n[nH]c(Nc2cccc(O)c2O)n1.CNc1nc(N(C)c2cccc(O)c2O)n[nH]1.Cn1c(N)nnc1Nc1cccc(O)c1O.Nc1nc(NCc2cccc(O)c2O)n[nH]1.Nc1nc(Nc2cccc(O)c2O)n[nH]1
• InChI: InChI=1S/2C13H19N5O2.C12H17N5O2.2C11H15N5O2.4C10H13N5O2.4C9H11N5O2.C8H9N5O2/c1-17(2)12-14-13(16-15-12)18(3)7-6-9-4-5-10(19)11(20)8-9;1-17(2)13-16-15-12(18(13)3)14-7-6-9-4-5-10(19)11(20)8-9;1-17(2)12-14-11(15-16-12)13-6-5-8-3-4-9(18)10(19)7-8;1-15(2)10-12-11(14-13-10)16(3)7-5-4-6-8(17)9(7)18;1-15(2)11-14-13-10(16(11)3)12-7-5-4-6-8(17)9(7)18;1-14(10-13-12-9(11)15(10)2)6-4-3-5-7(16)8(6)17;1-15(2)10-12-9(13-14-10)11-6-4-3-5-7(16)8(6)17;1-11-9-12-10(14-13-9)15(2)6-4-3-5-7(16)8(6)17;1-15(10-12-9(11)13-14-10)5-6-3-2-4-7(16)8(6)17;1-14(9-11-8(10)12-13-9)5-3-2-4-6(15)7(5)16;1-14-8(10)12-13-9(14)11-5-3-2-4-6(15)7(5)16;1-10-8-12-9(14-13-8)11-5-3-2-4-6(15)7(5)16;10-8-12-9(14-13-8)11-4-5-2-1-3-6(15)7(5)16;9-7-11-8(13-12-7)10-4-2-1-3-5(14)6(4)15/h4-5,8,19-20H,6-7H2,1-3H3,(H,14,15,16);4-5,8,19-20H,6-7H2,1-3H3,(H,14,15);3-4,7,18-19H,5-6H2,1-2H3,(H2,13,14,15,16);4-6,17-18H,1-3H3,(H,12,13,14);4-6,17-18H,1-3H3,(H,12,13);3-5,16-17H,1-2H3,(H2,11,12);2*3-5,16-17H,1-2H3,(H2,11,12,13,14);2-4,16-17H,5H2,1H3,(H3,11,12,13,14);2-4,15-16H,1H3,(H3,10,11,12,13);2-4,15-16H,1H3,(H2,10,12)(H,11,13);2-4,15-16H,1H3,(H3,10,11,12,13,14);1-3,15-16H,4H2,(H4,10,11,12,13,14);1-3,14-15H,(H4,9,10,11,12,13)
• InChIKey: JRDRATDFSALAFD-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 1420.28 Ų
• H-Bond Donors: 54
• H-Bond Acceptors: 88
• Rotatable Bonds: 44
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3349.57
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	54
H-Bond Acceptors ≤ 10	88

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol?

The IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol (CID 158999383) is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol.

What is the SMILES notation for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol?

The canonical SMILES for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol is CN(C)c1n[nH]c(N(C)CCc2ccc(O)c(O)c2)n1.CN(C)c1n[nH]c(N(C)c2cccc(O)c2O)n1.CN(C)c1n[nH]c(NCCc2ccc(O)c(O)c2)n1.CN(C)c1n[nH]c(Nc2cccc(O)c2O)n1.CN(C)c1nnc(NCCc2ccc(O)c(O)c2)n1C.CN(C)c1nnc(Nc2cccc(O)c2O)n1C.CN(Cc1cccc(O)c1O)c1n[nH]c(N)n1.CN(c1cccc(O)c1O)c1nnc(N)n1C.CN(c1n[nH]c(N)n1)c1cccc(O)c1O.CNc1n[nH]c(Nc2cccc(O)c2O)n1.CNc1nc(N(C)c2cccc(O)c2O)n[nH]1.Cn1c(N)nnc1Nc1cccc(O)c1O.Nc1nc(NCc2cccc(O)c2O)n[nH]1.Nc1nc(Nc2cccc(O)c2O)n[nH]1.

What is the InChIKey of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol?

The InChIKey is JRDRATDFSALAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19N5O2.C12H17N5O2.2C11H15N5O2.4C10H13N5O2.4C9H11N5O2.C8H9N5O2/c1-17(2)12-14-13(16-15-12)18(3)7-6-9-4-5-10(19)11(20)8-9;1-17(2)13-16-15-12(18(13)3)14-7-6-9-4-5-10(19)11(20)8-9;1-17(2)12-14-11(15-16-12)13-6-5-8-3-4-9(18)10(19)7-8;1-15(2)10-12-11(14-13-10)16(3)7-5-4-6-8(17)9(7)18;1-15(2)11-14-13-10(16(11)3)12-7-5-4-6-8(17)9(7)18;1-14(10-13-12-9(11)15(10)2)6-4-3-5-7(16)8(6)17;1-15(2)10-12-9(13-14-10)11-6-4-3-5-7(16)8(6)17;1-11-9-12-10(14-13-9)15(2)6-4-3-5-7(16)8(6)17;1-15(10-12-9(11)13-14-10)5-6-3-2-4-7(16)8(6)17;1-14(9-11-8(10)12-13-9)5-3-2-4-6(15)7(5)16;1-14-8(10)12-13-9(14)11-5-3-2-4-6(15)7(5)16;1-10-8-12-9(14-13-8)11-5-3-2-4-6(15)7(5)16;10-8-12-9(14-13-8)11-4-5-2-1-3-6(15)7(5)16;9-7-11-8(13-12-7)10-4-2-1-3-5(14)6(4)15/h4-5,8,19-20H,6-7H2,1-3H3,(H,14,15,16);4-5,8,19-20H,6-7H2,1-3H3,(H,14,15);3-4,7,18-19H,5-6H2,1-2H3,(H2,13,14,15,16);4-6,17-18H,1-3H3,(H,12,13,14);4-6,17-18H,1-3H3,(H,12,13);3-5,16-17H,1-2H3,(H2,11,12);2*3-5,16-17H,1-2H3,(H2,11,12,13,14);2-4,16-17H,5H2,1H3,(H3,11,12,13,14);2-4,15-16H,1H3,(H3,10,11,12,13);2-4,15-16H,1H3,(H2,10,12)(H,11,13);2-4,15-16H,1H3,(H3,10,11,12,13,14);1-3,15-16H,4H2,(H4,10,11,12,13,14);1-3,14-15H,(H4,9,10,11,12,13).

What are the key properties of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol?

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol has a molecular weight of 3349.57 g/mol, XLogP of 11.06, 44 rotatable bonds, 54 hydrogen bond donors, and 88 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]benzene-1,2-diol;3-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]benzene-1,2-diol;3-[[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]methyl]benzene-1,2-diol;3-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]benzene-1,2-diol;4-[2-[[5-(dimethylamino)-4-methyl-1,2,4-triazol-3-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]ethyl]benzene-1,2-diol;3-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]benzene-1,2-diol;4-[2-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-methylamino]ethyl]benzene-1,2-diol;3-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]benzene-1,2-diol;3-[methyl-[5-(methylamino)-1H-1,2,4-triazol-3-yl]amino]benzene-1,2-diol is sourced from PubChem (CID 158999383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).