boric acid;tris(N,N-dihydroxyethanamine)

C6H24BN3O9 — CID 174826792

IUPACboric acid;tris(N,N-dihydroxyethanamine)
SMILESCCN(O)O.CCN(O)O.CCN(O)O.OB(O)O
InChIInChI=1S/3C2H7NO2.BH3O3/c3*1-2-3(4)5;2-1(3)4/h3*4-5H,2H2,1H3;2-4H
InChIKeyBKSTUPKHBTVRDX-UHFFFAOYSA-N
MW293.08 g/mol
LogP-1.79
Rot. Bonds3

About boric acid;tris(N,N-dihydroxyethanamine)

boric acid;tris(N,N-dihydroxyethanamine) (PubChem CID 174826792) has the molecular formula C6H24BN3O9 and a molecular weight of 293.08 g/mol. Its IUPAC name is boric acid;tris(N,N-dihydroxyethanamine).

Molecular Properties

Compound Nameboric acid;tris(N,N-dihydroxyethanamine)
PubChem CID174826792
Molecular FormulaC6H24BN3O9
Molecular Weight293.08 g/mol
Exact Mass293.16
IUPAC Nameboric acid;tris(N,N-dihydroxyethanamine)
SMILESCCN(O)O.CCN(O)O.CCN(O)O.OB(O)O
InChIInChI=1S/3C2H7NO2.BH3O3/c3*1-2-3(4)5;2-1(3)4/h3*4-5H,2H2,1H3;2-4H
InChIKeyBKSTUPKHBTVRDX-UHFFFAOYSA-N
XLogP-1.79
TPSA191.79 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500293.08
LogP ≤ 5-1.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze boric acid;tris(N,N-dihydroxyethanamine) 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

boric acid;N,N-dimethylmethanamine
CID 87240079
N,N-dihydroxyethanamine;2,3,4,5,6-pentachlorophenol
CID 19596815
lithium;boric acid;ethanol;chloride
CID 174961340
sodium;N,N-diethylhydroxylamine;hydride
CID 173441828
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
boric acid
CID 173080807
boric acid;tris(N,N-diethylethanamine);tetrakis(2,3,4,5,6-pentafluorophenol)
CID 172829975
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid
CID 88619821
boric acid;propanoic acid
CID 88603519
boric acid;butan-2-one
CID 88852757
CID 173079153
CID 173079153

Frequently Asked Questions

What is the IUPAC name of boric acid;tris(N,N-dihydroxyethanamine)?
The IUPAC name of boric acid;tris(N,N-dihydroxyethanamine) (CID 174826792) is boric acid;tris(N,N-dihydroxyethanamine).
What is the SMILES notation for boric acid;tris(N,N-dihydroxyethanamine)?
The canonical SMILES for boric acid;tris(N,N-dihydroxyethanamine) is CCN(O)O.CCN(O)O.CCN(O)O.OB(O)O.
What is the InChIKey of boric acid;tris(N,N-dihydroxyethanamine)?
The InChIKey is BKSTUPKHBTVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7NO2.BH3O3/c3*1-2-3(4)5;2-1(3)4/h3*4-5H,2H2,1H3;2-4H.
What are the key properties of boric acid;tris(N,N-dihydroxyethanamine)?
boric acid;tris(N,N-dihydroxyethanamine) has a molecular weight of 293.08 g/mol, XLogP of -1.79, 3 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(N,N-dihydroxyethanamine) is sourced from PubChem (CID 174826792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).