diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium

C2H12N6O4 — CID 163873613

IUPACdiamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium
SMILESCON([O-])NCO[N+](N)(N)ON
InChIInChI=1S/C2H12N6O4/c1-10-7(9)6-2-11-8(3,4)12-5/h6H,2-5H2,1H3
InChIKeyXONITRHWTUUSTB-UHFFFAOYSA-N
MW184.16 g/mol
LogP-2.89
Rot. Bonds6

About diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium

diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium (PubChem CID 163873613) has the molecular formula C2H12N6O4 and a molecular weight of 184.16 g/mol. Its IUPAC name is diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium.

Molecular Properties

Compound Namediamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium
PubChem CID163873613
Molecular FormulaC2H12N6O4
Molecular Weight184.16 g/mol
Exact Mass184.09
IUPAC Namediamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium
SMILESCON([O-])NCO[N+](N)(N)ON
InChIInChI=1S/C2H12N6O4/c1-10-7(9)6-2-11-8(3,4)12-5/h6H,2-5H2,1H3
InChIKeyXONITRHWTUUSTB-UHFFFAOYSA-N
XLogP-2.89
TPSA144.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

[hydrazinyl(oxido)amino]oxymethane
CID 163719291
amino(triaminooxy)azanium
CID 157223367
diamino-(aminooxymethyl)-methoxyazanium
CID 163570183
N-amino-N-[amino(oxido)amino]methanamine oxide
CID 163788182
CID 159864860
CID 159864860
N-methoxy-N-methyl-1-(oxan-4-yl)methanamine
CID 130638258
O-[[methyl(oxido)amino]-oxidoamino]hydroxylamine
CID 163576945
[methylperoxy(oxido)amino]oxymethane
CID 163648735
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
1-O-methyl 2-O-(methylaminomethyl) oxalate
CID 130373394
2-[2-hydroxyethyl(methoxy)amino]ethanol
CID 86719910
(3S)-3-aminooxy-4-(trimethylazaniumyl)butanoate
CID 57347276

Frequently Asked Questions

What is the IUPAC name of diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium?
The IUPAC name of diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium (CID 163873613) is diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium.
What is the SMILES notation for diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium?
The canonical SMILES for diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium is CON([O-])NCO[N+](N)(N)ON.
What is the InChIKey of diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium?
The InChIKey is XONITRHWTUUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H12N6O4/c1-10-7(9)6-2-11-8(3,4)12-5/h6H,2-5H2,1H3.
What are the key properties of diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium?
diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium has a molecular weight of 184.16 g/mol, XLogP of -2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-aminooxy-[(2-methoxy-2-oxidohydrazinyl)methoxy]azanium is sourced from PubChem (CID 163873613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).