methyl 2-(aminodiazenyl)acetate

C3H7N3O2 — CID 90211553

IUPACmethyl 2-(aminodiazenyl)acetate
SMILESCOC(=O)C/N=N/N
InChIInChI=1S/C3H7N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3,(H2,4,5)
InChIKeyONMIBQHCXPTESN-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.51
Rot. Bonds2

About methyl 2-(aminodiazenyl)acetate

methyl 2-(aminodiazenyl)acetate (PubChem CID 90211553) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is methyl 2-(aminodiazenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(aminodiazenyl)acetate
PubChem CID90211553
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Namemethyl 2-(aminodiazenyl)acetate
SMILESCOC(=O)C/N=N/N
InChIInChI=1S/C3H7N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3,(H2,4,5)
InChIKeyONMIBQHCXPTESN-UHFFFAOYSA-N
XLogP-0.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminodiazenyl)acetate?
The IUPAC name of methyl 2-(aminodiazenyl)acetate (CID 90211553) is methyl 2-(aminodiazenyl)acetate.
What is the SMILES notation for methyl 2-(aminodiazenyl)acetate?
The canonical SMILES for methyl 2-(aminodiazenyl)acetate is COC(=O)C/N=N/N.
What is the InChIKey of methyl 2-(aminodiazenyl)acetate?
The InChIKey is ONMIBQHCXPTESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3,(H2,4,5).
What are the key properties of methyl 2-(aminodiazenyl)acetate?
methyl 2-(aminodiazenyl)acetate has a molecular weight of 117.11 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminodiazenyl)acetate is sourced from PubChem (CID 90211553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).