diazanium;acetate;formate;hydrate

C3H14N2O5 — CID 141398927

IUPACdiazanium;acetate;formate;hydrate
SMILESCC(=O)[O-].O.O=C[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H4O2.CH2O2.2H3N.H2O/c1-2(3)4;2-1-3;;;/h1H3,(H,3,4);1H,(H,2,3);2*1H3;1H2
InChIKeyYWAMFKYNAXVXEA-UHFFFAOYSA-N
MW158.15 g/mol
LogP-2.95
Rot. Bonds

About diazanium;acetate;formate;hydrate

diazanium;acetate;formate;hydrate (PubChem CID 141398927) has the molecular formula C3H14N2O5 and a molecular weight of 158.15 g/mol. Its IUPAC name is diazanium;acetate;formate;hydrate.

Molecular Properties

Compound Namediazanium;acetate;formate;hydrate
PubChem CID141398927
Molecular FormulaC3H14N2O5
Molecular Weight158.15 g/mol
Exact Mass158.09
IUPAC Namediazanium;acetate;formate;hydrate
SMILESCC(=O)[O-].O.O=C[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H4O2.CH2O2.2H3N.H2O/c1-2(3)4;2-1-3;;;/h1H3,(H,3,4);1H,(H,2,3);2*1H3;1H2
InChIKeyYWAMFKYNAXVXEA-UHFFFAOYSA-N
XLogP-2.95
TPSA184.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dizinc;acetate;formate
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tin(2+);diacetate;dihydrate
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azanium;cerium(4+);pentaacetate
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cerium(3+);acetate;hexahydrate
CID 23158452
vanadium;triacetate;hydrate
CID 102418603
yttrium(3+);triacetate;hydrate
CID 57376990
sodium;acetate;trihydrate
CID 23665404
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
praseodymium(3+);triacetate;trihydrate
CID 172733090
strontium;acetate;hexahydrate
CID 19795582

Frequently Asked Questions

What is the IUPAC name of diazanium;acetate;formate;hydrate?
The IUPAC name of diazanium;acetate;formate;hydrate (CID 141398927) is diazanium;acetate;formate;hydrate.
What is the SMILES notation for diazanium;acetate;formate;hydrate?
The canonical SMILES for diazanium;acetate;formate;hydrate is CC(=O)[O-].O.O=C[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;acetate;formate;hydrate?
The InChIKey is YWAMFKYNAXVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O2.2H3N.H2O/c1-2(3)4;2-1-3;;;/h1H3,(H,3,4);1H,(H,2,3);2*1H3;1H2.
What are the key properties of diazanium;acetate;formate;hydrate?
diazanium;acetate;formate;hydrate has a molecular weight of 158.15 g/mol, XLogP of -2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;acetate;formate;hydrate is sourced from PubChem (CID 141398927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).