N-amino-N-[amino(oxido)amino]methanamine oxide

CH7N4O2- — CID 163788182

IUPACN-amino-N-[amino(oxido)amino]methanamine oxide
SMILESC[N+](N)([O-])N(N)[O-]
InChIInChI=1S/CH7N4O2/c1-5(3,7)4(2)6/h2-3H2,1H3/q-1
InChIKeyTYMCZHDTISQMFH-UHFFFAOYSA-N
MW107.09 g/mol
LogP-1.61
Rot. Bonds1

About N-amino-N-[amino(oxido)amino]methanamine oxide

N-amino-N-[amino(oxido)amino]methanamine oxide (PubChem CID 163788182) has the molecular formula CH7N4O2- and a molecular weight of 107.09 g/mol. Its IUPAC name is N-amino-N-[amino(oxido)amino]methanamine oxide.

Molecular Properties

Compound NameN-amino-N-[amino(oxido)amino]methanamine oxide
PubChem CID163788182
Molecular FormulaCH7N4O2-
Molecular Weight107.09 g/mol
Exact Mass107.06
IUPAC NameN-amino-N-[amino(oxido)amino]methanamine oxide
SMILESC[N+](N)([O-])N(N)[O-]
InChIInChI=1S/CH7N4O2/c1-5(3,7)4(2)6/h2-3H2,1H3/q-1
InChIKeyTYMCZHDTISQMFH-UHFFFAOYSA-N
XLogP-1.61
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine oxide;hydroiodide
CID 119095335
azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate
CID 172725164
1-amino-N,N-dimethyl-1-oxomethanamine oxide
CID 150196587
2-[amino(oxido)amino]propan-2-ol
CID 163562272
1,1-dimethylhydrazine
CID 5976
1-oxido-1-propylhydrazine
CID 154118656
amino-dimethylboranyl-dimethylazanium
CID 147883709
N-methoxy-N-methylmethanamine oxide
CID 18929186
oxido(dioxo)niobium;rubidium(1+)
CID 23670859
gadolinium(3+);tris(oxido(dioxo)niobium)
CID 173091823
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[amino(oxido)amino]methanamine oxide?
The IUPAC name of N-amino-N-[amino(oxido)amino]methanamine oxide (CID 163788182) is N-amino-N-[amino(oxido)amino]methanamine oxide.
What is the SMILES notation for N-amino-N-[amino(oxido)amino]methanamine oxide?
The canonical SMILES for N-amino-N-[amino(oxido)amino]methanamine oxide is C[N+](N)([O-])N(N)[O-].
What is the InChIKey of N-amino-N-[amino(oxido)amino]methanamine oxide?
The InChIKey is TYMCZHDTISQMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH7N4O2/c1-5(3,7)4(2)6/h2-3H2,1H3/q-1.
What are the key properties of N-amino-N-[amino(oxido)amino]methanamine oxide?
N-amino-N-[amino(oxido)amino]methanamine oxide has a molecular weight of 107.09 g/mol, XLogP of -1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[amino(oxido)amino]methanamine oxide is sourced from PubChem (CID 163788182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).