[diazenyl(oxido)amino]oxyiminomethane

CH3N4O2- — CID 163841078

IUPAC[diazenyl(oxido)amino]oxyiminomethane
SMILES[H]/N=N/N([O-])ON=C
InChIInChI=1S/CH3N4O2/c1-3-7-5(6)4-2/h2H,1H2/q-1/b4-2+
InChIKeyVGZNZNBLUKGZSF-DUXPYHPUSA-N
MW103.06 g/mol
LogP0.28
Rot. Bonds3

About [diazenyl(oxido)amino]oxyiminomethane

[diazenyl(oxido)amino]oxyiminomethane (PubChem CID 163841078) has the molecular formula CH3N4O2- and a molecular weight of 103.06 g/mol. Its IUPAC name is [diazenyl(oxido)amino]oxyiminomethane.

Molecular Properties

Compound Name[diazenyl(oxido)amino]oxyiminomethane
PubChem CID163841078
Molecular FormulaCH3N4O2-
Molecular Weight103.06 g/mol
Exact Mass103.03
IUPAC Name[diazenyl(oxido)amino]oxyiminomethane
SMILES[H]/N=N/N([O-])ON=C
InChIInChI=1S/CH3N4O2/c1-3-7-5(6)4-2/h2H,1H2/q-1/b4-2+
InChIKeyVGZNZNBLUKGZSF-DUXPYHPUSA-N
XLogP0.28
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.06
LogP ≤ 50.28
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[diazenyl(oxido)amino]propan-2-ol
CID 163568258
[ethenyl(oxido)amino] methanimidate
CID 163842739
CID 154406351
CID 154406351
N-diazenyl-N-methylmethanamine
CID 15178355
N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine
CID 87672155
chlorodiazene
CID 20778768
sodium N-diazenyl-N-ethylethanamine
CID 172778091
carboxy(diazenyl)carbamic acid
CID 21461025
N-diazenyl-N,3-dimethylbutan-2-amine
CID 146507208
CID 162066270
CID 162066270
N-diazenyl-2-methyl-N-(methylamino)propan-2-amine
CID 146512453
diazenyldiazene
CID 19878547

Frequently Asked Questions

What is the IUPAC name of [diazenyl(oxido)amino]oxyiminomethane?
The IUPAC name of [diazenyl(oxido)amino]oxyiminomethane (CID 163841078) is [diazenyl(oxido)amino]oxyiminomethane.
What is the SMILES notation for [diazenyl(oxido)amino]oxyiminomethane?
The canonical SMILES for [diazenyl(oxido)amino]oxyiminomethane is [H]/N=N/N([O-])ON=C.
What is the InChIKey of [diazenyl(oxido)amino]oxyiminomethane?
The InChIKey is VGZNZNBLUKGZSF-DUXPYHPUSA-N. The full InChI is InChI=1S/CH3N4O2/c1-3-7-5(6)4-2/h2H,1H2/q-1/b4-2+.
What are the key properties of [diazenyl(oxido)amino]oxyiminomethane?
[diazenyl(oxido)amino]oxyiminomethane has a molecular weight of 103.06 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diazenyl(oxido)amino]oxyiminomethane is sourced from PubChem (CID 163841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).