azanium;methane;oxido formate;trihydrate

C2H15NO6 — CID 159969710

IUPACazanium;methane;oxido formate;trihydrate
SMILESC.O.O.O.O=CO[O-].[NH4+]
InChIInChI=1S/CH2O3.CH4.H3N.3H2O/c2-1-4-3;;;;;/h1,3H;1H4;1H3;3*1H2
InChIKeySMBKXQLTKOGTJF-UHFFFAOYSA-N
MW149.14 g/mol
LogP-3.03
Rot. Bonds1

About azanium;methane;oxido formate;trihydrate

azanium;methane;oxido formate;trihydrate (PubChem CID 159969710) has the molecular formula C2H15NO6 and a molecular weight of 149.14 g/mol. Its IUPAC name is azanium;methane;oxido formate;trihydrate.

Molecular Properties

Compound Nameazanium;methane;oxido formate;trihydrate
PubChem CID159969710
Molecular FormulaC2H15NO6
Molecular Weight149.14 g/mol
Exact Mass149.09
IUPAC Nameazanium;methane;oxido formate;trihydrate
SMILESC.O.O.O.O=CO[O-].[NH4+]
InChIInChI=1S/CH2O3.CH4.H3N.3H2O/c2-1-4-3;;;;;/h1,3H;1H4;1H3;3*1H2
InChIKeySMBKXQLTKOGTJF-UHFFFAOYSA-N
XLogP-3.03
TPSA180.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid
CID 159913262
hydron;molecular hydrogen;oxido formate;peroxyformic acid
CID 169425017
bis(carbon dioxide);hydron;molecular hydrogen;oxido formate;peroxyformic acid;hydrate
CID 159582809
dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
CID 158157610
selanyl formate
CID 173007921
formyl formate;hydrate
CID 158985007
methane;methyl formate
CID 162150401
sulfanyl formate;hydrate
CID 173083909
potassium;tris(carbon dioxide);formic acid;hydride;hydron;molecular hydrogen;oxido formate;peroxyformic acid;potassiopotassium;carbonate;hydroxide;hydrate
CID 158010880
CID 172807343
CID 172807343
cobalt(2+);diformate;hydrate
CID 172711133
azanium;zinc;formate
CID 21426951

Frequently Asked Questions

What is the IUPAC name of azanium;methane;oxido formate;trihydrate?
The IUPAC name of azanium;methane;oxido formate;trihydrate (CID 159969710) is azanium;methane;oxido formate;trihydrate.
What is the SMILES notation for azanium;methane;oxido formate;trihydrate?
The canonical SMILES for azanium;methane;oxido formate;trihydrate is C.O.O.O.O=CO[O-].[NH4+].
What is the InChIKey of azanium;methane;oxido formate;trihydrate?
The InChIKey is SMBKXQLTKOGTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.CH4.H3N.3H2O/c2-1-4-3;;;;;/h1,3H;1H4;1H3;3*1H2.
What are the key properties of azanium;methane;oxido formate;trihydrate?
azanium;methane;oxido formate;trihydrate has a molecular weight of 149.14 g/mol, XLogP of -3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;methane;oxido formate;trihydrate is sourced from PubChem (CID 159969710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).