N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide

C20H26N8O3 — CID 135212075

About N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide

N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide (PubChem CID 135212075) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide.

Molecular Properties

• Compound Name: N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
• PubChem CID: 135212075
• Molecular Formula: C20H26N8O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.21
• IUPAC Name: N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
• SMILES: CC1=C(N2CCC3(CCC(NCc4ccc(/N=C/N=N/N)nn4)CC3)C2=O)COC1=O
• InChI: InChI=1S/C20H26N8O3/c1-13-16(11-31-18(13)29)28-9-8-20(19(28)30)6-4-14(5-7-20)22-10-15-2-3-17(26-25-15)23-12-24-27-21/h2-3,12,14,22H,4-11H2,1H3,(H2,21,23,24,26)
• InChIKey: DRHVHNKNNKHXKJ-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 147.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide?

The IUPAC name of N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide (CID 135212075) is N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide.

What is the SMILES notation for N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide?

The canonical SMILES for N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide is CC1=C(N2CCC3(CCC(NCc4ccc(/N=C/N=N/N)nn4)CC3)C2=O)COC1=O.

What is the InChIKey of N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide?

The InChIKey is DRHVHNKNNKHXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-13-16(11-31-18(13)29)28-9-8-20(19(28)30)6-4-14(5-7-20)22-10-15-2-3-17(26-25-15)23-12-24-27-21/h2-3,12,14,22H,4-11H2,1H3,(H2,21,23,24,26).

What are the key properties of N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide?

N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide has a molecular weight of 426.48 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide is sourced from PubChem (CID 135212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).