diazanium;1-hydroxypropylazanium;trihydroxide

C3H21N3O4 — CID 141052061

IUPACdiazanium;1-hydroxypropylazanium;trihydroxide
SMILESCCC([NH3+])O.[NH4+].[NH4+].[OH-].[OH-].[OH-]
InChIInChI=1S/C3H9NO.2H3N.3H2O/c1-2-3(4)5;;;;;/h3,5H,2,4H2,1H3;2*1H3;3*1H2
InChIKeyDOROCQRHRLMPST-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.82
Rot. Bonds1

About diazanium;1-hydroxypropylazanium;trihydroxide

diazanium;1-hydroxypropylazanium;trihydroxide (PubChem CID 141052061) has the molecular formula C3H21N3O4 and a molecular weight of 163.22 g/mol. Its IUPAC name is diazanium;1-hydroxypropylazanium;trihydroxide.

Molecular Properties

Compound Namediazanium;1-hydroxypropylazanium;trihydroxide
PubChem CID141052061
Molecular FormulaC3H21N3O4
Molecular Weight163.22 g/mol
Exact Mass163.15
IUPAC Namediazanium;1-hydroxypropylazanium;trihydroxide
SMILESCCC([NH3+])O.[NH4+].[NH4+].[OH-].[OH-].[OH-]
InChIInChI=1S/C3H9NO.2H3N.3H2O/c1-2-3(4)5;;;;;/h3,5H,2,4H2,1H3;2*1H3;3*1H2
InChIKeyDOROCQRHRLMPST-UHFFFAOYSA-N
XLogP-0.82
TPSA210.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diazanium;1-hydroxypropylazanium;trihydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;propane-1,1-diol
CID 157390682
pentan-3-ol
CID 11428
azanium;ethane-1,1-diol;hydroxide
CID 159460124
pentakis(butan-2-ol);molybdenum
CID 152613437
molecular iodine;propane-1,1-diol
CID 141479363
pentan-3-ol;dihydrochloride
CID 141116397
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
butan-2-ol
CID 123926829
tris(butan-2-ol);gallane
CID 175569742
ethyl-tris(1-hydroxyethyl)azanium hydroxide
CID 88688051
1-aminopropan-1-ol;hydrochloride
CID 18547293

Frequently Asked Questions

What is the IUPAC name of diazanium;1-hydroxypropylazanium;trihydroxide?
The IUPAC name of diazanium;1-hydroxypropylazanium;trihydroxide (CID 141052061) is diazanium;1-hydroxypropylazanium;trihydroxide.
What is the SMILES notation for diazanium;1-hydroxypropylazanium;trihydroxide?
The canonical SMILES for diazanium;1-hydroxypropylazanium;trihydroxide is CCC([NH3+])O.[NH4+].[NH4+].[OH-].[OH-].[OH-].
What is the InChIKey of diazanium;1-hydroxypropylazanium;trihydroxide?
The InChIKey is DOROCQRHRLMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.2H3N.3H2O/c1-2-3(4)5;;;;;/h3,5H,2,4H2,1H3;2*1H3;3*1H2.
What are the key properties of diazanium;1-hydroxypropylazanium;trihydroxide?
diazanium;1-hydroxypropylazanium;trihydroxide has a molecular weight of 163.22 g/mol, XLogP of -0.82, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;1-hydroxypropylazanium;trihydroxide is sourced from PubChem (CID 141052061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).