N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide

CH6N2O4 — CID 163752722

IUPACN-[hydroxy(oxido)azaniumyl]oxymethanamine oxide
SMILESC[NH+]([O-])O[NH+]([O-])O
InChIInChI=1S/CH6N2O4/c1-2(4)7-3(5)6/h2-3,5H,1H3
InChIKeyLRKLWEWCHNZDEK-UHFFFAOYSA-N
MW110.07 g/mol
LogP-3.38
Rot. Bonds2

About N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide

N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide (PubChem CID 163752722) has the molecular formula CH6N2O4 and a molecular weight of 110.07 g/mol. Its IUPAC name is N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide.

Molecular Properties

Compound NameN-[hydroxy(oxido)azaniumyl]oxymethanamine oxide
PubChem CID163752722
Molecular FormulaCH6N2O4
Molecular Weight110.07 g/mol
Exact Mass110.03
IUPAC NameN-[hydroxy(oxido)azaniumyl]oxymethanamine oxide
SMILESC[NH+]([O-])O[NH+]([O-])O
InChIInChI=1S/CH6N2O4/c1-2(4)7-3(5)6/h2-3,5H,1H3
InChIKeyLRKLWEWCHNZDEK-UHFFFAOYSA-N
XLogP-3.38
TPSA84.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.07
LogP ≤ 5-3.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[methoxy(oxido)azaniumyl]oxymethanamine oxide
CID 163801000
azonic acid bromide
CID 173050054
(3S)-N-[methyl(oxido)azaniumyl]oxyhexan-3-amine oxide
CID 163952866
N-(trimethylazaniumyl)oxymethanamine oxide
CID 163415913
1-methoxy-N-methyl-1-oxomethanamine oxide
CID 163557527
6-carboxy-N-hydroxy-2,3,4-trimethoxybenzeneamine oxide
CID 21117177
N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
CID 163495644
bis(N-methylmethanamine oxide);methyl(oxido)azanium
CID 159111842
hydrogen borate;bis(trimethylazanium)
CID 142675535
N-hydroxy-4-methoxy-2-methylbenzeneamine oxide
CID 163166286
(3S)-1-ethoxy-3-[hydroxy(oxido)azaniumyl]oxy-1-oxobutane
CID 163161730
[[methoxy(oxido)azaniumyl]-methylazaniumyl]azanide
CID 163709816

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide?
The IUPAC name of N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide (CID 163752722) is N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide.
What is the SMILES notation for N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide?
The canonical SMILES for N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide is C[NH+]([O-])O[NH+]([O-])O.
What is the InChIKey of N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide?
The InChIKey is LRKLWEWCHNZDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O4/c1-2(4)7-3(5)6/h2-3,5H,1H3.
What are the key properties of N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide?
N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide has a molecular weight of 110.07 g/mol, XLogP of -3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide is sourced from PubChem (CID 163752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).