[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide

C2H11N5O — CID 163568250

IUPAC[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide
SMILESCN[NH+]([NH-])N[NH+](C)[O-]
InChIInChI=1S/C2H11N5O/c1-4-7(3)5-6(2)8/h3-7H,1-2H3
InChIKeyFXAZGHDTAYWYIH-UHFFFAOYSA-N
MW121.14 g/mol
LogP-3.60
Rot. Bonds3

About [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide

[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide (PubChem CID 163568250) has the molecular formula C2H11N5O and a molecular weight of 121.14 g/mol. Its IUPAC name is [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide.

Molecular Properties

Compound Name[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide
PubChem CID163568250
Molecular FormulaC2H11N5O
Molecular Weight121.14 g/mol
Exact Mass121.10
IUPAC Name[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide
SMILESCN[NH+]([NH-])N[NH+](C)[O-]
InChIInChI=1S/C2H11N5O/c1-4-7(3)5-6(2)8/h3-7H,1-2H3
InChIKeyFXAZGHDTAYWYIH-UHFFFAOYSA-N
XLogP-3.60
TPSA79.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-3.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide?
The IUPAC name of [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide (CID 163568250) is [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide.
What is the SMILES notation for [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide?
The canonical SMILES for [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide is CN[NH+]([NH-])N[NH+](C)[O-].
What is the InChIKey of [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide?
The InChIKey is FXAZGHDTAYWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H11N5O/c1-4-7(3)5-6(2)8/h3-7H,1-2H3.
What are the key properties of [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide?
[methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide has a molecular weight of 121.14 g/mol, XLogP of -3.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methylamino-[[methyl(oxido)azaniumyl]amino]azaniumyl]azanide is sourced from PubChem (CID 163568250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).