4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine

C101H120Cl14N30O16 — CID 159419684

About 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine

4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine (PubChem CID 159419684) has the molecular formula C101H120Cl14N30O16 and a molecular weight of 2506.61 g/mol. Its IUPAC name is 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine.

Molecular Properties

• Compound Name: 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine
• PubChem CID: 159419684
• Molecular Formula: C101H120Cl14N30O16
• Molecular Weight: 2506.61 g/mol
• Exact Mass: 2498.51
• IUPAC Name: 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine
• SMILES: CC(C)(CO)Cc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.CC(C)(COCCO)Cc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.COCC(COC)OCCCc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.COCC(O)CCNc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.Nc1nc(CC(CO)CO)nnc1-c1cccc(Cl)c1Cl.Nc1nc(CCCOC(CO)CO)nnc1-c1cccc(Cl)c1Cl.Nc1nc(NOCC(O)CO)nnc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C17H22Cl2N4O3.C16H20Cl2N4O2.C15H18Cl2N4O3.C14H17Cl2N5O2.C14H16Cl2N4O.C13H14Cl2N4O2.C12H13Cl2N5O3/c1-24-9-11(10-25-2)26-8-4-7-14-21-17(20)16(23-22-14)12-5-3-6-13(18)15(12)19;1-16(2,9-24-7-6-23)8-12-20-15(19)14(22-21-12)10-4-3-5-11(17)13(10)18;16-11-4-1-3-10(13(11)17)14-15(18)19-12(20-21-14)5-2-6-24-9(7-22)8-23;1-23-7-8(22)5-6-18-14-19-13(17)12(20-21-14)9-3-2-4-10(15)11(9)16;1-14(2,7-21)6-10-18-13(17)12(20-19-10)8-4-3-5-9(15)11(8)16;14-9-3-1-2-8(11(9)15)12-13(16)17-10(18-19-12)4-7(5-20)6-21;13-8-3-1-2-7(9(8)14)10-11(15)16-12(18-17-10)19-22-5-6(21)4-20/h3,5-6,11H,4,7-10H2,1-2H3,(H2,20,21,22);3-5,23H,6-9H2,1-2H3,(H2,19,20,21);1,3-4,9,22-23H,2,5-8H2,(H2,18,19,20);2-4,8,22H,5-7H2,1H3,(H3,17,18,19,21);3-5,21H,6-7H2,1-2H3,(H2,17,18,19);1-3,7,20-21H,4-6H2,(H2,16,17,18);1-3,6,20-21H,4-5H2,(H3,15,16,18,19)
• InChIKey: LPPKVDOVNUPJEL-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 723.57 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 46
• Rotatable Bonds: 47
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.61
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine?

The IUPAC name of 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine (CID 159419684) is 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine.

What is the SMILES notation for 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine?

The canonical SMILES for 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine is CC(C)(CO)Cc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.CC(C)(COCCO)Cc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.COCC(COC)OCCCc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.COCC(O)CCNc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.Nc1nc(CC(CO)CO)nnc1-c1cccc(Cl)c1Cl.Nc1nc(CCCOC(CO)CO)nnc1-c1cccc(Cl)c1Cl.Nc1nc(NOCC(O)CO)nnc1-c1cccc(Cl)c1Cl.

What is the InChIKey of 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine?

The InChIKey is LPPKVDOVNUPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3.C16H20Cl2N4O2.C15H18Cl2N4O3.C14H17Cl2N5O2.C14H16Cl2N4O.C13H14Cl2N4O2.C12H13Cl2N5O3/c1-24-9-11(10-25-2)26-8-4-7-14-21-17(20)16(23-22-14)12-5-3-6-13(18)15(12)19;1-16(2,9-24-7-6-23)8-12-20-15(19)14(22-21-12)10-4-3-5-11(17)13(10)18;16-11-4-1-3-10(13(11)17)14-15(18)19-12(20-21-14)5-2-6-24-9(7-22)8-23;1-23-7-8(22)5-6-18-14-19-13(17)12(20-21-14)9-3-2-4-10(15)11(9)16;1-14(2,7-21)6-10-18-13(17)12(20-19-10)8-4-3-5-9(15)11(8)16;14-9-3-1-2-8(11(9)15)12-13(16)17-10(18-19-12)4-7(5-20)6-21;13-8-3-1-2-7(9(8)14)10-11(15)16-12(18-17-10)19-22-5-6(21)4-20/h3,5-6,11H,4,7-10H2,1-2H3,(H2,20,21,22);3-5,23H,6-9H2,1-2H3,(H2,19,20,21);1,3-4,9,22-23H,2,5-8H2,(H2,18,19,20);2-4,8,22H,5-7H2,1H3,(H3,17,18,19,21);3-5,21H,6-7H2,1-2H3,(H2,17,18,19);1-3,7,20-21H,4-6H2,(H2,16,17,18);1-3,6,20-21H,4-5H2,(H3,15,16,18,19).

What are the key properties of 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine?

4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine has a molecular weight of 2506.61 g/mol, XLogP of 15.69, 47 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 159419684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).