triazanium;azane;chloride;sulfate

H15ClN4O4S — CID 163745229

IUPACtriazanium;azane;chloride;sulfate
SMILESN.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/ClH.4H3N.H2O4S/c;;;;;1-5(2,3)4/h1H;4*1H3;(H2,1,2,3,4)
InChIKeyLLGLUBXYCJUQGW-UHFFFAOYSA-N
MW202.66 g/mol
LogP-3.04
Rot. Bonds

About triazanium;azane;chloride;sulfate

triazanium;azane;chloride;sulfate (PubChem CID 163745229) has the molecular formula H15ClN4O4S and a molecular weight of 202.66 g/mol. Its IUPAC name is triazanium;azane;chloride;sulfate.

Molecular Properties

Compound Nametriazanium;azane;chloride;sulfate
PubChem CID163745229
Molecular FormulaH15ClN4O4S
Molecular Weight202.66 g/mol
Exact Mass202.05
IUPAC Nametriazanium;azane;chloride;sulfate
SMILESN.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/ClH.4H3N.H2O4S/c;;;;;1-5(2,3)4/h1H;4*1H3;(H2,1,2,3,4)
InChIKeyLLGLUBXYCJUQGW-UHFFFAOYSA-N
XLogP-3.04
TPSA224.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 5-3.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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diazanium;nickel;trisulfate
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Frequently Asked Questions

What is the IUPAC name of triazanium;azane;chloride;sulfate?
The IUPAC name of triazanium;azane;chloride;sulfate (CID 163745229) is triazanium;azane;chloride;sulfate.
What is the SMILES notation for triazanium;azane;chloride;sulfate?
The canonical SMILES for triazanium;azane;chloride;sulfate is N.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;azane;chloride;sulfate?
The InChIKey is LLGLUBXYCJUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.4H3N.H2O4S/c;;;;;1-5(2,3)4/h1H;4*1H3;(H2,1,2,3,4).
What are the key properties of triazanium;azane;chloride;sulfate?
triazanium;azane;chloride;sulfate has a molecular weight of 202.66 g/mol, XLogP of -3.04, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;azane;chloride;sulfate is sourced from PubChem (CID 163745229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).