diazanium;cyanide;nitrate

CH8N4O3 — CID 161435023

IUPACdiazanium;cyanide;nitrate
SMILESO=[N+]([O-])[O-].[C-]#N.[NH4+].[NH4+]
InChIInChI=1S/CN.NO3.2H3N/c1-2;2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2
InChIKeyVYNKESFUQLVIIA-UHFFFAOYSA-P
MW124.10 g/mol
LogP0.61
Rot. Bonds

About diazanium;cyanide;nitrate

diazanium;cyanide;nitrate (PubChem CID 161435023) has the molecular formula CH8N4O3 and a molecular weight of 124.10 g/mol. Its IUPAC name is diazanium;cyanide;nitrate.

Molecular Properties

Compound Namediazanium;cyanide;nitrate
PubChem CID161435023
Molecular FormulaCH8N4O3
Molecular Weight124.10 g/mol
Exact Mass124.06
IUPAC Namediazanium;cyanide;nitrate
SMILESO=[N+]([O-])[O-].[C-]#N.[NH4+].[NH4+]
InChIInChI=1S/CN.NO3.2H3N/c1-2;2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2
InChIKeyVYNKESFUQLVIIA-UHFFFAOYSA-P
XLogP0.61
TPSA162.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diazanium;cyanide;nitrate?
The IUPAC name of diazanium;cyanide;nitrate (CID 161435023) is diazanium;cyanide;nitrate.
What is the SMILES notation for diazanium;cyanide;nitrate?
The canonical SMILES for diazanium;cyanide;nitrate is O=[N+]([O-])[O-].[C-]#N.[NH4+].[NH4+].
What is the InChIKey of diazanium;cyanide;nitrate?
The InChIKey is VYNKESFUQLVIIA-UHFFFAOYSA-P. The full InChI is InChI=1S/CN.NO3.2H3N/c1-2;2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2.
What are the key properties of diazanium;cyanide;nitrate?
diazanium;cyanide;nitrate has a molecular weight of 124.10 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;cyanide;nitrate is sourced from PubChem (CID 161435023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).