sodium;azane;dihydrogen borate

H5BNNaO3 — CID 172687370

IUPACsodium;azane;dihydrogen borate
SMILESN.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.H3N.Na/c2-1(3)4;;/h2-3H;1H3;/q-1;;+1
InChIKeyBFFNRYZJGLNYOJ-UHFFFAOYSA-N
MW100.85 g/mol
LogP-5.52
Rot. Bonds

About sodium;azane;dihydrogen borate

sodium;azane;dihydrogen borate (PubChem CID 172687370) has the molecular formula H5BNNaO3 and a molecular weight of 100.85 g/mol. Its IUPAC name is sodium;azane;dihydrogen borate.

Molecular Properties

Compound Namesodium;azane;dihydrogen borate
PubChem CID172687370
Molecular FormulaH5BNNaO3
Molecular Weight100.85 g/mol
Exact Mass101.03
IUPAC Namesodium;azane;dihydrogen borate
SMILESN.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.H3N.Na/c2-1(3)4;;/h2-3H;1H3;/q-1;;+1
InChIKeyBFFNRYZJGLNYOJ-UHFFFAOYSA-N
XLogP-5.52
TPSA98.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.85
LogP ≤ 5-5.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;azane;dihydrogen borate?
The IUPAC name of sodium;azane;dihydrogen borate (CID 172687370) is sodium;azane;dihydrogen borate.
What is the SMILES notation for sodium;azane;dihydrogen borate?
The canonical SMILES for sodium;azane;dihydrogen borate is N.[Na+].[O-]B(O)O.
What is the InChIKey of sodium;azane;dihydrogen borate?
The InChIKey is BFFNRYZJGLNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O3.H3N.Na/c2-1(3)4;;/h2-3H;1H3;/q-1;;+1.
What are the key properties of sodium;azane;dihydrogen borate?
sodium;azane;dihydrogen borate has a molecular weight of 100.85 g/mol, XLogP of -5.52, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;dihydrogen borate is sourced from PubChem (CID 172687370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).