azanium;methane;nitrite

CH8N2O2 — CID 169427036

IUPACazanium;methane;nitrite
SMILESC.O=N[O-].[NH4+]
InChIInChI=1S/CH4.HNO2.H3N/c;2-1-3;/h1H4;(H,2,3);1H3
InChIKeyXWJGBSRCIGXOSB-UHFFFAOYSA-N
MW80.09 g/mol
LogP1.26
Rot. Bonds

About azanium;methane;nitrite

azanium;methane;nitrite (PubChem CID 169427036) has the molecular formula CH8N2O2 and a molecular weight of 80.09 g/mol. Its IUPAC name is azanium;methane;nitrite.

Molecular Properties

Compound Nameazanium;methane;nitrite
PubChem CID169427036
Molecular FormulaCH8N2O2
Molecular Weight80.09 g/mol
Exact Mass80.06
IUPAC Nameazanium;methane;nitrite
SMILESC.O=N[O-].[NH4+]
InChIInChI=1S/CH4.HNO2.H3N/c;2-1-3;/h1H4;(H,2,3);1H3
InChIKeyXWJGBSRCIGXOSB-UHFFFAOYSA-N
XLogP1.26
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diazanium;rhodium;hexanitrite
CID 173394912
azanium;cerium(4+);pentanitrite
CID 22721316
platinum(2+) dinitrite
CID 173066293
nickel(2+) dinitrite
CID 20831815
lead(2+) nitrite
CID 23623754
thorium nitrite
CID 154069841
lithium nitrite
CID 23673709
CID 20981982
CID 20981982
CID 19007947
CID 19007947
Sodium nitrite N-15
CID 23662135
neodymium(3+) trinitrite
CID 158721016
silver nitrite
CID 25199704

Frequently Asked Questions

What is the IUPAC name of azanium;methane;nitrite?
The IUPAC name of azanium;methane;nitrite (CID 169427036) is azanium;methane;nitrite.
What is the SMILES notation for azanium;methane;nitrite?
The canonical SMILES for azanium;methane;nitrite is C.O=N[O-].[NH4+].
What is the InChIKey of azanium;methane;nitrite?
The InChIKey is XWJGBSRCIGXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.HNO2.H3N/c;2-1-3;/h1H4;(H,2,3);1H3.
What are the key properties of azanium;methane;nitrite?
azanium;methane;nitrite has a molecular weight of 80.09 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;methane;nitrite is sourced from PubChem (CID 169427036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).