tetraazanium;ethanolate;propanedioate

C7H28N4O6 — CID 141132679

IUPACtetraazanium;ethanolate;propanedioate
SMILESCC[O-].CC[O-].O=C([O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C3H4O4.2C2H5O.4H3N/c4-2(5)1-3(6)7;2*1-2-3;;;;/h1H2,(H,4,5)(H,6,7);2*2H2,1H3;4*1H3/q;2*-1;;;;/p+2
InChIKeyZTVRDJYMBMMSRH-UHFFFAOYSA-P
MW264.32 g/mol
LogP-2.89
Rot. Bonds2

About tetraazanium;ethanolate;propanedioate

tetraazanium;ethanolate;propanedioate (PubChem CID 141132679) has the molecular formula C7H28N4O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is tetraazanium;ethanolate;propanedioate.

Molecular Properties

Compound Nametetraazanium;ethanolate;propanedioate
PubChem CID141132679
Molecular FormulaC7H28N4O6
Molecular Weight264.32 g/mol
Exact Mass264.20
IUPAC Nametetraazanium;ethanolate;propanedioate
SMILESCC[O-].CC[O-].O=C([O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C3H4O4.2C2H5O.4H3N/c4-2(5)1-3(6)7;2*1-2-3;;;;/h1H2,(H,4,5)(H,6,7);2*2H2,1H3;4*1H3/q;2*-1;;;;/p+2
InChIKeyZTVRDJYMBMMSRH-UHFFFAOYSA-P
XLogP-2.89
TPSA272.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

azanium;iron(3+);bis(propanedioate)
CID 160868163
magnesium;butane;propanedioate
CID 18427664
dialuminum;ethanolate;triacetate
CID 173401507
bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
bis(praseodymium(3+));tris(propanedioate)
CID 159601608
iron(2+);propanedioate
CID 14944028
triazanium;butanoate;ethanolate
CID 141132655
copper;propanedioate;hydrate
CID 155143676
calcium;sodium;ethanolate;acetate;chloride
CID 141328997
lithium;sodium;propanedioate;propanoic acid
CID 175224860
butanedioate;propanedioate
CID 18423363

Frequently Asked Questions

What is the IUPAC name of tetraazanium;ethanolate;propanedioate?
The IUPAC name of tetraazanium;ethanolate;propanedioate (CID 141132679) is tetraazanium;ethanolate;propanedioate.
What is the SMILES notation for tetraazanium;ethanolate;propanedioate?
The canonical SMILES for tetraazanium;ethanolate;propanedioate is CC[O-].CC[O-].O=C([O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;ethanolate;propanedioate?
The InChIKey is ZTVRDJYMBMMSRH-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H4O4.2C2H5O.4H3N/c4-2(5)1-3(6)7;2*1-2-3;;;;/h1H2,(H,4,5)(H,6,7);2*2H2,1H3;4*1H3/q;2*-1;;;;/p+2.
What are the key properties of tetraazanium;ethanolate;propanedioate?
tetraazanium;ethanolate;propanedioate has a molecular weight of 264.32 g/mol, XLogP of -2.89, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;ethanolate;propanedioate is sourced from PubChem (CID 141132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).