diazanium;ethanolate;bromide

C2H13BrN2O — CID 141441986

IUPACdiazanium;ethanolate;bromide
SMILESCC[O-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C2H5O.BrH.2H3N/c1-2-3;;;/h2H2,1H3;1H;2*1H3/q-1;;;/p+1
InChIKeyXRPPZNOPRDBRGL-UHFFFAOYSA-O
MW161.04 g/mol
LogP-2.88
Rot. Bonds

About diazanium;ethanolate;bromide

diazanium;ethanolate;bromide (PubChem CID 141441986) has the molecular formula C2H13BrN2O and a molecular weight of 161.04 g/mol. Its IUPAC name is diazanium;ethanolate;bromide.

Molecular Properties

Compound Namediazanium;ethanolate;bromide
PubChem CID141441986
Molecular FormulaC2H13BrN2O
Molecular Weight161.04 g/mol
Exact Mass160.02
IUPAC Namediazanium;ethanolate;bromide
SMILESCC[O-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C2H5O.BrH.2H3N/c1-2-3;;;/h2H2,1H3;1H;2*1H3/q-1;;;/p+1
InChIKeyXRPPZNOPRDBRGL-UHFFFAOYSA-O
XLogP-2.88
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.04
LogP ≤ 5-2.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diazanium;ethanolate;bromide?
The IUPAC name of diazanium;ethanolate;bromide (CID 141441986) is diazanium;ethanolate;bromide.
What is the SMILES notation for diazanium;ethanolate;bromide?
The canonical SMILES for diazanium;ethanolate;bromide is CC[O-].[Br-].[NH4+].[NH4+].
What is the InChIKey of diazanium;ethanolate;bromide?
The InChIKey is XRPPZNOPRDBRGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O.BrH.2H3N/c1-2-3;;;/h2H2,1H3;1H;2*1H3/q-1;;;/p+1.
What are the key properties of diazanium;ethanolate;bromide?
diazanium;ethanolate;bromide has a molecular weight of 161.04 g/mol, XLogP of -2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethanolate;bromide is sourced from PubChem (CID 141441986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).