triazanium;hydrogen carbonate;hydrogen phosphate

CH14N3O7P — CID 161106274

IUPACtriazanium;hydrogen carbonate;hydrogen phosphate
SMILESO=C([O-])O.O=P([O-])([O-])O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH2O3.3H3N.H3O4P/c2-1(3)4;;;;1-5(2,3)4/h(H2,2,3,4);3*1H3;(H3,1,2,3,4)
InChIKeyUJCBTFDEBVRXLC-UHFFFAOYSA-N
MW211.11 g/mol
LogP-2.18
Rot. Bonds

About triazanium;hydrogen carbonate;hydrogen phosphate

triazanium;hydrogen carbonate;hydrogen phosphate (PubChem CID 161106274) has the molecular formula CH14N3O7P and a molecular weight of 211.11 g/mol. Its IUPAC name is triazanium;hydrogen carbonate;hydrogen phosphate.

Molecular Properties

Compound Nametriazanium;hydrogen carbonate;hydrogen phosphate
PubChem CID161106274
Molecular FormulaCH14N3O7P
Molecular Weight211.11 g/mol
Exact Mass211.06
IUPAC Nametriazanium;hydrogen carbonate;hydrogen phosphate
SMILESO=C([O-])O.O=P([O-])([O-])O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH2O3.3H3N.H3O4P/c2-1(3)4;;;;1-5(2,3)4/h(H2,2,3,4);3*1H3;(H3,1,2,3,4)
InChIKeyUJCBTFDEBVRXLC-UHFFFAOYSA-N
XLogP-2.18
TPSA253.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triazanium;hydrogen carbonate;hydrogen phosphate 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

trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
dizinc;hydrogen phosphate;carbonate
CID 142022309
diazanium;hydrogen phosphate;sulfane
CID 173018779
pentaazanium;hydrogen carbonate
CID 159428979
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
calcium;acetic acid;hydrogen phosphate
CID 155194224
bis(chromium(3+));hydrogen phosphate
CID 19708255
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
hafnium;hydrogen phosphate
CID 160536753
diazanium;magnesium;azane;hydrogen phosphate;oxygen(2-)
CID 173341212
azanium;magnesium;azane;hydrogen phosphate;hydroxide
CID 21082873
magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
CID 173174161

Frequently Asked Questions

What is the IUPAC name of triazanium;hydrogen carbonate;hydrogen phosphate?
The IUPAC name of triazanium;hydrogen carbonate;hydrogen phosphate (CID 161106274) is triazanium;hydrogen carbonate;hydrogen phosphate.
What is the SMILES notation for triazanium;hydrogen carbonate;hydrogen phosphate?
The canonical SMILES for triazanium;hydrogen carbonate;hydrogen phosphate is O=C([O-])O.O=P([O-])([O-])O.[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;hydrogen carbonate;hydrogen phosphate?
The InChIKey is UJCBTFDEBVRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.3H3N.H3O4P/c2-1(3)4;;;;1-5(2,3)4/h(H2,2,3,4);3*1H3;(H3,1,2,3,4).
What are the key properties of triazanium;hydrogen carbonate;hydrogen phosphate?
triazanium;hydrogen carbonate;hydrogen phosphate has a molecular weight of 211.11 g/mol, XLogP of -2.18, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;hydrogen carbonate;hydrogen phosphate is sourced from PubChem (CID 161106274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).