azane;hydroperoxyboronic acid

H12BN3O4 — CID 172819461

IUPACazane;hydroperoxyboronic acid
SMILESN.N.N.OOB(O)O
InChIInChI=1S/BH3O4.3H3N/c2-1(3)5-4;;;/h2-4H;3*1H3
InChIKeyUAILCXANVPDDLP-UHFFFAOYSA-N
MW128.93 g/mol
LogP-1.07
Rot. Bonds1

About azane;hydroperoxyboronic acid

azane;hydroperoxyboronic acid (PubChem CID 172819461) has the molecular formula H12BN3O4 and a molecular weight of 128.93 g/mol. Its IUPAC name is azane;hydroperoxyboronic acid.

Molecular Properties

Compound Nameazane;hydroperoxyboronic acid
PubChem CID172819461
Molecular FormulaH12BN3O4
Molecular Weight128.93 g/mol
Exact Mass129.09
IUPAC Nameazane;hydroperoxyboronic acid
SMILESN.N.N.OOB(O)O
InChIInChI=1S/BH3O4.3H3N/c2-1(3)5-4;;;/h2-4H;3*1H3
InChIKeyUAILCXANVPDDLP-UHFFFAOYSA-N
XLogP-1.07
TPSA174.92 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500128.93
LogP ≤ 5-1.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hydroperoxyboronic acid
CID 173303376
azane;boronooxyboronic acid;tetrahydrate
CID 172753756
azane;boric acid
CID 173195173
azane;boric acid
CID 172700013
azane;boric acid;hydrate
CID 172814433
dibromoborinic acid
CID 151621452
azane;boric acid;tetrahydrate
CID 172699009
alumane;silyloxyboronic acid
CID 174329602
CID 158949581
CID 158949581
sodium;azane;boric acid;hydride
CID 173224246
alumane;hydroperoxyphosphane
CID 173301928
strontium;fluorooxyboronic acid;hydride
CID 173358889

Frequently Asked Questions

What is the IUPAC name of azane;hydroperoxyboronic acid?
The IUPAC name of azane;hydroperoxyboronic acid (CID 172819461) is azane;hydroperoxyboronic acid.
What is the SMILES notation for azane;hydroperoxyboronic acid?
The canonical SMILES for azane;hydroperoxyboronic acid is N.N.N.OOB(O)O.
What is the InChIKey of azane;hydroperoxyboronic acid?
The InChIKey is UAILCXANVPDDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O4.3H3N/c2-1(3)5-4;;;/h2-4H;3*1H3.
What are the key properties of azane;hydroperoxyboronic acid?
azane;hydroperoxyboronic acid has a molecular weight of 128.93 g/mol, XLogP of -1.07, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroperoxyboronic acid is sourced from PubChem (CID 172819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).