(aminodiazenyl)boronic acid

H4BN3O2 — CID 172749006

IUPAC(aminodiazenyl)boronic acid
SMILESNN=NB(O)O
InChIInChI=1S/BH4N3O2/c2-4-3-1(5)6/h5-6H,(H2,2,3)
InChIKeyKCQZTQPWQRILOX-UHFFFAOYSA-N
MW88.86 g/mol
LogP-1.72
Rot. Bonds1

About (aminodiazenyl)boronic acid

(aminodiazenyl)boronic acid (PubChem CID 172749006) has the molecular formula H4BN3O2 and a molecular weight of 88.86 g/mol. Its IUPAC name is (aminodiazenyl)boronic acid.

Molecular Properties

Compound Name(aminodiazenyl)boronic acid
PubChem CID172749006
Molecular FormulaH4BN3O2
Molecular Weight88.86 g/mol
Exact Mass89.04
IUPAC Name(aminodiazenyl)boronic acid
SMILESNN=NB(O)O
InChIInChI=1S/BH4N3O2/c2-4-3-1(5)6/h5-6H,(H2,2,3)
InChIKeyKCQZTQPWQRILOX-UHFFFAOYSA-N
XLogP-1.72
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.86
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-aminooxyimino-3-hydrazinylideneurea
CID 126517110
alumane;boric acid;gadolinium;ytterbium
CID 174620952
boric acid
CID 173080807
(aminodiazenyl)phosphanium
CID 131730150
methylboronamidic acid
CID 18341614
CID 23527684
CID 23527684
CID 140520805
CID 140520805
Aluminium--gadolinium (3/1)
CID 78062282
CID 22362190
CID 22362190
N'-amino-N-hydroxymethanimidamide
CID 57065492
(1-tert-butyl-1-hydrazinylidene-2,2-dimethylpropylidene)hydrazine
CID 638162
azane;boric acid
CID 173195173

Frequently Asked Questions

What is the IUPAC name of (aminodiazenyl)boronic acid?
The IUPAC name of (aminodiazenyl)boronic acid (CID 172749006) is (aminodiazenyl)boronic acid.
What is the SMILES notation for (aminodiazenyl)boronic acid?
The canonical SMILES for (aminodiazenyl)boronic acid is NN=NB(O)O.
What is the InChIKey of (aminodiazenyl)boronic acid?
The InChIKey is KCQZTQPWQRILOX-UHFFFAOYSA-N. The full InChI is InChI=1S/BH4N3O2/c2-4-3-1(5)6/h5-6H,(H2,2,3).
What are the key properties of (aminodiazenyl)boronic acid?
(aminodiazenyl)boronic acid has a molecular weight of 88.86 g/mol, XLogP of -1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (aminodiazenyl)boronic acid is sourced from PubChem (CID 172749006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).