2-azido-N-diazenylacetamide

C2H4N6O — CID 136591258

IUPAC2-azido-N-diazenylacetamide
SMILES[H]/N=N/NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C2H4N6O/c3-7-5-1-2(9)6-8-4/h1H2,(H2,4,6,9)
InChIKeyIQYZACKQJIUTRD-UHFFFAOYSA-N
MW128.09 g/mol
LogP0.36
Rot. Bonds3

About 2-azido-N-diazenylacetamide

2-azido-N-diazenylacetamide (PubChem CID 136591258) has the molecular formula C2H4N6O and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-azido-N-diazenylacetamide.

Molecular Properties

Compound Name2-azido-N-diazenylacetamide
PubChem CID136591258
Molecular FormulaC2H4N6O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name2-azido-N-diazenylacetamide
SMILES[H]/N=N/NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C2H4N6O/c3-7-5-1-2(9)6-8-4/h1H2,(H2,4,6,9)
InChIKeyIQYZACKQJIUTRD-UHFFFAOYSA-N
XLogP0.36
TPSA114.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazenyl-2-(methylamino)acetamide
CID 137160680
2-azido-N-methoxyacetamide
CID 150686867
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
2-azido-N-(methylcarbamoyl)acetamide
CID 61375725
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
2-azidoethanimidamide
CID 150332829
2-azido-N-octylacetamide
CID 91620085
2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide
CID 90448356
2-azido-N-[(4-methylphenyl)methyl]acetamide
CID 52940391
CID 162458828
CID 162458828
3-azido-2-oxopropanal
CID 54201527

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-diazenylacetamide?
The IUPAC name of 2-azido-N-diazenylacetamide (CID 136591258) is 2-azido-N-diazenylacetamide.
What is the SMILES notation for 2-azido-N-diazenylacetamide?
The canonical SMILES for 2-azido-N-diazenylacetamide is [H]/N=N/NC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-diazenylacetamide?
The InChIKey is IQYZACKQJIUTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N6O/c3-7-5-1-2(9)6-8-4/h1H2,(H2,4,6,9).
What are the key properties of 2-azido-N-diazenylacetamide?
2-azido-N-diazenylacetamide has a molecular weight of 128.09 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-diazenylacetamide is sourced from PubChem (CID 136591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).