triazanium;ethanolate;formate

C5H23N3O4 — CID 141132682

IUPACtriazanium;ethanolate;formate
SMILESCC[O-].CC[O-].O=C[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H5O.CH2O2.3H3N/c2*1-2-3;2-1-3;;;/h2*2H2,1H3;1H,(H,2,3);3*1H3/q2*-1;;;;/p+2
InChIKeyUGIMXEKBGRNWCL-UHFFFAOYSA-P
MW189.26 g/mol
LogP-1.77
Rot. Bonds

About triazanium;ethanolate;formate

triazanium;ethanolate;formate (PubChem CID 141132682) has the molecular formula C5H23N3O4 and a molecular weight of 189.26 g/mol. Its IUPAC name is triazanium;ethanolate;formate.

Molecular Properties

Compound Nametriazanium;ethanolate;formate
PubChem CID141132682
Molecular FormulaC5H23N3O4
Molecular Weight189.26 g/mol
Exact Mass189.17
IUPAC Nametriazanium;ethanolate;formate
SMILESCC[O-].CC[O-].O=C[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H5O.CH2O2.3H3N/c2*1-2-3;2-1-3;;;/h2*2H2,1H3;1H,(H,2,3);3*1H3/q2*-1;;;;/p+2
InChIKeyUGIMXEKBGRNWCL-UHFFFAOYSA-P
XLogP-1.77
TPSA195.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

zinc;propane;formate
CID 159113453
diazanium;ethanolate;bromide
CID 141441986
azanium;copper(1+);formate
CID 21420541
triazanium;ethanolate;chloride
CID 141132734
azanium;ethanolate;hydrofluoride
CID 156786956
azanium;zinc;formate
CID 21426951
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
hexasodium;hexaformate
CID 22390259
bis(iron(2+));tetraformate
CID 159382291
plutonium triformate
CID 159598703
zirconium formate
CID 3015525

Frequently Asked Questions

What is the IUPAC name of triazanium;ethanolate;formate?
The IUPAC name of triazanium;ethanolate;formate (CID 141132682) is triazanium;ethanolate;formate.
What is the SMILES notation for triazanium;ethanolate;formate?
The canonical SMILES for triazanium;ethanolate;formate is CC[O-].CC[O-].O=C[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;ethanolate;formate?
The InChIKey is UGIMXEKBGRNWCL-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H5O.CH2O2.3H3N/c2*1-2-3;2-1-3;;;/h2*2H2,1H3;1H,(H,2,3);3*1H3/q2*-1;;;;/p+2.
What are the key properties of triazanium;ethanolate;formate?
triazanium;ethanolate;formate has a molecular weight of 189.26 g/mol, XLogP of -1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;ethanolate;formate is sourced from PubChem (CID 141132682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).