methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

C24H28N18O4 — CID 135979240

About methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 135979240) has the molecular formula C24H28N18O4 and a molecular weight of 632.61 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• PubChem CID: 135979240
• Molecular Formula: C24H28N18O4
• Molecular Weight: 632.61 g/mol
• Exact Mass: 632.25
• IUPAC Name: methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(N)nc(-n3nc(C)c(/N=N/c4c(C(=O)CO)c(C)nn4C)c3N)n2)c1N
• InChI: InChI=1S/C24H28N18O4/c1-9-14(13(44)8-43)20(40(5)36-9)35-33-16-11(3)38-42(18(16)26)24-30-22(27)29-23(31-24)41-17(25)15(10(2)37-41)32-34-19-12(21(45)46-6)7-28-39(19)4/h7,43H,8,25-26H2,1-6H3,(H2,27,29,30,31)/b34-32+,35-33+
• InChIKey: VQVIQUUIOGCURN-XUXOKTBYSA-N
• XLogP: 1.17
• TPSA: 301.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.61
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The IUPAC name of methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (CID 135979240) is methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

What is the SMILES notation for methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The canonical SMILES for methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(N)nc(-n3nc(C)c(/N=N/c4c(C(=O)CO)c(C)nn4C)c3N)n2)c1N.

What is the InChIKey of methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The InChIKey is VQVIQUUIOGCURN-XUXOKTBYSA-N. The full InChI is InChI=1S/C24H28N18O4/c1-9-14(13(44)8-43)20(40(5)36-9)35-33-16-11(3)38-42(18(16)26)24-30-22(27)29-23(31-24)41-17(25)15(10(2)37-41)32-34-19-12(21(45)46-6)7-28-39(19)4/h7,43H,8,25-26H2,1-6H3,(H2,27,29,30,31)/b34-32+,35-33+.

What are the key properties of methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 632.61 g/mol, XLogP of 1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[5-amino-1-[4-amino-6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,3-dimethylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 135979240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).