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

CH9N5O — CID 163490393

IUPAC[[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide
SMILESCN[NH+]([NH-])[NH+](N)[O-]
InChIInChI=1S/CH9N5O/c1-4-5(2)6(3)7/h2,4-6H,3H2,1H3
InChIKeyCMCLFLIYDNMOGR-UHFFFAOYSA-N
MW107.12 g/mol
LogP-3.86
Rot. Bonds2

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

[[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide (PubChem CID 163490393) has the molecular formula CH9N5O and a molecular weight of 107.12 g/mol. Its IUPAC name is [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide.

Molecular Properties

Compound Name[[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide
PubChem CID163490393
Molecular FormulaCH9N5O
Molecular Weight107.12 g/mol
Exact Mass107.08
IUPAC Name[[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide
SMILESCN[NH+]([NH-])[NH+](N)[O-]
InChIInChI=1S/CH9N5O/c1-4-5(2)6(3)7/h2,4-6H,3H2,1H3
InChIKeyCMCLFLIYDNMOGR-UHFFFAOYSA-N
XLogP-3.86
TPSA93.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 5-3.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide?
The IUPAC name of [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide (CID 163490393) is [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide.
What is the SMILES notation for [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide?
The canonical SMILES for [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide is CN[NH+]([NH-])[NH+](N)[O-].
What is the InChIKey of [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide?
The InChIKey is CMCLFLIYDNMOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH9N5O/c1-4-5(2)6(3)7/h2,4-6H,3H2,1H3.
What are the key properties of [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide?
[[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide has a molecular weight of 107.12 g/mol, XLogP of -3.86, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(oxido)azaniumyl]-(methylamino)azaniumyl]azanide is sourced from PubChem (CID 163490393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).