2-(aminodiazenyl)oxy-N-oxoacetamide

C2H4N4O3 — CID 118049675

IUPAC2-(aminodiazenyl)oxy-N-oxoacetamide
SMILESNN=NOCC(=O)N=O
InChIInChI=1S/C2H4N4O3/c3-5-6-9-1-2(7)4-8/h1H2,(H2,3,6)
InChIKeyUCUHQPJPFWNLPQ-UHFFFAOYSA-N
MW132.08 g/mol
LogP-0.46
Rot. Bonds3

About 2-(aminodiazenyl)oxy-N-oxoacetamide

2-(aminodiazenyl)oxy-N-oxoacetamide (PubChem CID 118049675) has the molecular formula C2H4N4O3 and a molecular weight of 132.08 g/mol. Its IUPAC name is 2-(aminodiazenyl)oxy-N-oxoacetamide.

Molecular Properties

Compound Name2-(aminodiazenyl)oxy-N-oxoacetamide
PubChem CID118049675
Molecular FormulaC2H4N4O3
Molecular Weight132.08 g/mol
Exact Mass132.03
IUPAC Name2-(aminodiazenyl)oxy-N-oxoacetamide
SMILESNN=NOCC(=O)N=O
InChIInChI=1S/C2H4N4O3/c3-5-6-9-1-2(7)4-8/h1H2,(H2,3,6)
InChIKeyUCUHQPJPFWNLPQ-UHFFFAOYSA-N
XLogP-0.46
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.08
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid
CID 174626411
2-amino-N-oxoacetamide
CID 173469497
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
3-methoxy-N-oxopropanamide
CID 89105235
N-oxobutanamide
CID 87293137
N,4-dioxopentanamide
CID 87531074
3-methyl-N-oxobut-3-enamide
CID 89255440
3-[[2-amino-1,3-bis(3-nitroso-3-oxopropoxy)propan-2-yl]amino]propanoic acid
CID 89348002
(Z)-6-ethoxy-N,4-dioxohept-5-enamide
CID 126591471
2-(ethylamino)-N-oxoacetamide
CID 138632842
N,5-dioxohexanamide
CID 146976894
1-aminooxyimino-3-hydrazinylideneurea
CID 126517110

Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)oxy-N-oxoacetamide?
The IUPAC name of 2-(aminodiazenyl)oxy-N-oxoacetamide (CID 118049675) is 2-(aminodiazenyl)oxy-N-oxoacetamide.
What is the SMILES notation for 2-(aminodiazenyl)oxy-N-oxoacetamide?
The canonical SMILES for 2-(aminodiazenyl)oxy-N-oxoacetamide is NN=NOCC(=O)N=O.
What is the InChIKey of 2-(aminodiazenyl)oxy-N-oxoacetamide?
The InChIKey is UCUHQPJPFWNLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4O3/c3-5-6-9-1-2(7)4-8/h1H2,(H2,3,6).
What are the key properties of 2-(aminodiazenyl)oxy-N-oxoacetamide?
2-(aminodiazenyl)oxy-N-oxoacetamide has a molecular weight of 132.08 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)oxy-N-oxoacetamide is sourced from PubChem (CID 118049675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).