triazanium;3-hydroxypropan-1-olate;sulfate

C3H19N3O6S — CID 141463110

IUPACtriazanium;3-hydroxypropan-1-olate;sulfate
SMILESO=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[O-]CCCO
InChIInChI=1S/C3H7O2.3H3N.H2O4S/c4-2-1-3-5;;;;1-5(2,3)4/h4H,1-3H2;3*1H3;(H2,1,2,3,4)/q-1;;;;/p+1
InChIKeyVJEHXKBEMCVLFA-UHFFFAOYSA-O
MW225.27 g/mol
LogP-1.48
Rot. Bonds2

About triazanium;3-hydroxypropan-1-olate;sulfate

triazanium;3-hydroxypropan-1-olate;sulfate (PubChem CID 141463110) has the molecular formula C3H19N3O6S and a molecular weight of 225.27 g/mol. Its IUPAC name is triazanium;3-hydroxypropan-1-olate;sulfate.

Molecular Properties

Compound Nametriazanium;3-hydroxypropan-1-olate;sulfate
PubChem CID141463110
Molecular FormulaC3H19N3O6S
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Nametriazanium;3-hydroxypropan-1-olate;sulfate
SMILESO=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[O-]CCCO
InChIInChI=1S/C3H7O2.3H3N.H2O4S/c4-2-1-3-5;;;;1-5(2,3)4/h4H,1-3H2;3*1H3;(H2,1,2,3,4)/q-1;;;;/p+1
InChIKeyVJEHXKBEMCVLFA-UHFFFAOYSA-O
XLogP-1.48
TPSA233.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

lithium 3-hydroxypropan-1-olate
CID 175741891
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disodium;ethane-1,2-diol;sulfate
CID 158719389
3-hydroxypropan-1-olate;trimethylstannanylium
CID 119097681
zinc;octan-1-ol;sulfate
CID 174737582
azanium;ethanol;iron;sulfate
CID 167432398
calcium bis(3-hydroxypropane-1-sulfonate)
CID 162170471
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
azanium;lithium;sulfate
CID 139045804
disodium;dodecan-1-ol;molecular oxygen;sulfate
CID 174277972

Frequently Asked Questions

What is the IUPAC name of triazanium;3-hydroxypropan-1-olate;sulfate?
The IUPAC name of triazanium;3-hydroxypropan-1-olate;sulfate (CID 141463110) is triazanium;3-hydroxypropan-1-olate;sulfate.
What is the SMILES notation for triazanium;3-hydroxypropan-1-olate;sulfate?
The canonical SMILES for triazanium;3-hydroxypropan-1-olate;sulfate is O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[O-]CCCO.
What is the InChIKey of triazanium;3-hydroxypropan-1-olate;sulfate?
The InChIKey is VJEHXKBEMCVLFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O2.3H3N.H2O4S/c4-2-1-3-5;;;;1-5(2,3)4/h4H,1-3H2;3*1H3;(H2,1,2,3,4)/q-1;;;;/p+1.
What are the key properties of triazanium;3-hydroxypropan-1-olate;sulfate?
triazanium;3-hydroxypropan-1-olate;sulfate has a molecular weight of 225.27 g/mol, XLogP of -1.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;3-hydroxypropan-1-olate;sulfate is sourced from PubChem (CID 141463110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).