methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

C24H28N18O4 — CID 136622045

About methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 136622045) has the molecular formula C24H28N18O4 and a molecular weight of 632.61 g/mol. Its IUPAC name is methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• PubChem CID: 136622045
• Molecular Formula: C24H28N18O4
• Molecular Weight: 632.61 g/mol
• Exact Mass: 632.25
• IUPAC Name: methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3NN)nn2)c1NN
• InChI: InChI=1S/C24H28N18O4/c1-11-18(33-35-20-13(15(44)10-43)8-27-39(20)3)22(29-25)41(37-11)16-6-7-17(32-31-16)42-23(30-26)19(12(2)38-42)34-36-21-14(24(45)46-5)9-28-40(21)4/h6-9,29-30,43H,10,25-26H2,1-5H3/b35-33+,36-34+
• InChIKey: TVAXOJCYVDYUDK-LBYUQGKWSA-N
• XLogP: 1.30
• TPSA: 286.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.61
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	5
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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (CID 136622045) is methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

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

The canonical SMILES for methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3NN)nn2)c1NN.

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

The InChIKey is TVAXOJCYVDYUDK-LBYUQGKWSA-N. The full InChI is InChI=1S/C24H28N18O4/c1-11-18(33-35-20-13(15(44)10-43)8-27-39(20)3)22(29-25)41(37-11)16-6-7-17(32-31-16)42-23(30-26)19(12(2)38-42)34-36-21-14(24(45)46-5)9-28-40(21)4/h6-9,29-30,43H,10,25-26H2,1-5H3/b35-33+,36-34+.

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

methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 632.61 g/mol, XLogP of 1.30, 11 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[5-hydrazinyl-1-[6-[5-hydrazinyl-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 136622045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).