azane;boric acid;hydrate

H14BN3O4 — CID 172814433

IUPACazane;boric acid;hydrate
SMILESN.N.N.O.OB(O)O
InChIInChI=1S/BH3O3.3H3N.H2O/c2-1(3)4;;;;/h2-4H;3*1H3;1H2
InChIKeySPVKYHSHLLIDOH-UHFFFAOYSA-N
MW130.94 g/mol
LogP-2.39
Rot. Bonds

About azane;boric acid;hydrate

azane;boric acid;hydrate (PubChem CID 172814433) has the molecular formula H14BN3O4 and a molecular weight of 130.94 g/mol. Its IUPAC name is azane;boric acid;hydrate.

Molecular Properties

Compound Nameazane;boric acid;hydrate
PubChem CID172814433
Molecular FormulaH14BN3O4
Molecular Weight130.94 g/mol
Exact Mass131.11
IUPAC Nameazane;boric acid;hydrate
SMILESN.N.N.O.OB(O)O
InChIInChI=1S/BH3O3.3H3N.H2O/c2-1(3)4;;;;/h2-4H;3*1H3;1H2
InChIKeySPVKYHSHLLIDOH-UHFFFAOYSA-N
XLogP-2.39
TPSA197.19 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500130.94
LogP ≤ 5-2.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;boric acid;tetrahydrate
CID 172699009
azane;boric acid
CID 173195173
boric acid;pentahydrate
CID 139908945
azane;boric acid
CID 172700013
CID 173048509
CID 173048509
boric acid;zinc;dihydrate
CID 173216285
boric acid
CID 173080807
boric acid;hydrazine;hexahydrate
CID 160899098
potassium;boric acid;hydride;dihydrate
CID 175521118
sodium;boric acid;hydride;tetrahydrate
CID 173005468
sodium;azane;boric acid;hydride
CID 173224246
trimagnesium;boric acid;oxygen(2-);tetrahydrate
CID 173077053

Frequently Asked Questions

What is the IUPAC name of azane;boric acid;hydrate?
The IUPAC name of azane;boric acid;hydrate (CID 172814433) is azane;boric acid;hydrate.
What is the SMILES notation for azane;boric acid;hydrate?
The canonical SMILES for azane;boric acid;hydrate is N.N.N.O.OB(O)O.
What is the InChIKey of azane;boric acid;hydrate?
The InChIKey is SPVKYHSHLLIDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.3H3N.H2O/c2-1(3)4;;;;/h2-4H;3*1H3;1H2.
What are the key properties of azane;boric acid;hydrate?
azane;boric acid;hydrate has a molecular weight of 130.94 g/mol, XLogP of -2.39, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boric acid;hydrate is sourced from PubChem (CID 172814433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).