N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide

C8H8N8O6 — CID 137243439

IUPACN-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
SMILESCC(=O)Nc1no[n+]([O-])c1/N=N/c1c(NC(C)=O)no[n+]1[O-]
InChIInChI=1S/C8H8N8O6/c1-3(17)9-5-7(15(19)21-13-5)11-12-8-6(10-4(2)18)14-22-16(8)20/h1-2H3,(H,9,13,17)(H,10,14,18)/b12-11+
InChIKeyLMVQIRQWJHMILM-VAWYXSNFSA-N
MW312.20 g/mol
LogP-0.74
Rot. Bonds4

About N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide

N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide (PubChem CID 137243439) has the molecular formula C8H8N8O6 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
PubChem CID137243439
Molecular FormulaC8H8N8O6
Molecular Weight312.20 g/mol
Exact Mass312.06
IUPAC NameN-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
SMILESCC(=O)Nc1no[n+]([O-])c1/N=N/c1c(NC(C)=O)no[n+]1[O-]
InChIInChI=1S/C8H8N8O6/c1-3(17)9-5-7(15(19)21-13-5)11-12-8-6(10-4(2)18)14-22-16(8)20/h1-2H3,(H,9,13,17)(H,10,14,18)/b12-11+
InChIKeyLMVQIRQWJHMILM-VAWYXSNFSA-N
XLogP-0.74
TPSA188.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The IUPAC name of N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide (CID 137243439) is N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The canonical SMILES for N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide is CC(=O)Nc1no[n+]([O-])c1/N=N/c1c(NC(C)=O)no[n+]1[O-].
What is the InChIKey of N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The InChIKey is LMVQIRQWJHMILM-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H8N8O6/c1-3(17)9-5-7(15(19)21-13-5)11-12-8-6(10-4(2)18)14-22-16(8)20/h1-2H3,(H,9,13,17)(H,10,14,18)/b12-11+.
What are the key properties of N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide has a molecular weight of 312.20 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide is sourced from PubChem (CID 137243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).