diazanium;ethanolate;hydrogen carbonate

C3H14N2O4 — CID 141030708

IUPACdiazanium;ethanolate;hydrogen carbonate
SMILESCC[O-].O=C([O-])O.[NH4+].[NH4+]
InChIInChI=1S/C2H5O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h2H2,1H3;(H2,2,3,4);2*1H3/q-1;;;/p+1
InChIKeyDVPMXMXHXDQVEO-UHFFFAOYSA-O
MW142.16 g/mol
LogP-0.99
Rot. Bonds

About diazanium;ethanolate;hydrogen carbonate

diazanium;ethanolate;hydrogen carbonate (PubChem CID 141030708) has the molecular formula C3H14N2O4 and a molecular weight of 142.16 g/mol. Its IUPAC name is diazanium;ethanolate;hydrogen carbonate.

Molecular Properties

Compound Namediazanium;ethanolate;hydrogen carbonate
PubChem CID141030708
Molecular FormulaC3H14N2O4
Molecular Weight142.16 g/mol
Exact Mass142.10
IUPAC Namediazanium;ethanolate;hydrogen carbonate
SMILESCC[O-].O=C([O-])O.[NH4+].[NH4+]
InChIInChI=1S/C2H5O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h2H2,1H3;(H2,2,3,4);2*1H3/q-1;;;/p+1
InChIKeyDVPMXMXHXDQVEO-UHFFFAOYSA-O
XLogP-0.99
TPSA156.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diazanium;ethanolate;hydrogen carbonate?
The IUPAC name of diazanium;ethanolate;hydrogen carbonate (CID 141030708) is diazanium;ethanolate;hydrogen carbonate.
What is the SMILES notation for diazanium;ethanolate;hydrogen carbonate?
The canonical SMILES for diazanium;ethanolate;hydrogen carbonate is CC[O-].O=C([O-])O.[NH4+].[NH4+].
What is the InChIKey of diazanium;ethanolate;hydrogen carbonate?
The InChIKey is DVPMXMXHXDQVEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h2H2,1H3;(H2,2,3,4);2*1H3/q-1;;;/p+1.
What are the key properties of diazanium;ethanolate;hydrogen carbonate?
diazanium;ethanolate;hydrogen carbonate has a molecular weight of 142.16 g/mol, XLogP of -0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethanolate;hydrogen carbonate is sourced from PubChem (CID 141030708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).