boric acid;tris(ethane-1,2-diamine)

C6H27BN6O3 — CID 175320087

IUPACboric acid;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.OB(O)O
InChIInChI=1S/3C2H8N2.BH3O3/c3*3-1-2-4;2-1(3)4/h3*1-4H2;2-4H
InChIKeyOGQFCKDWFOUDCP-UHFFFAOYSA-N
MW242.13 g/mol
LogP-5.34
Rot. Bonds3

About boric acid;tris(ethane-1,2-diamine)

boric acid;tris(ethane-1,2-diamine) (PubChem CID 175320087) has the molecular formula C6H27BN6O3 and a molecular weight of 242.13 g/mol. Its IUPAC name is boric acid;tris(ethane-1,2-diamine).

Molecular Properties

Compound Nameboric acid;tris(ethane-1,2-diamine)
PubChem CID175320087
Molecular FormulaC6H27BN6O3
Molecular Weight242.13 g/mol
Exact Mass242.22
IUPAC Nameboric acid;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.OB(O)O
InChIInChI=1S/3C2H8N2.BH3O3/c3*3-1-2-4;2-1(3)4/h3*1-4H2;2-4H
InChIKeyOGQFCKDWFOUDCP-UHFFFAOYSA-N
XLogP-5.34
TPSA216.81 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.13
LogP ≤ 5-5.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;tris(ethane-1,2-diamine)?
The IUPAC name of boric acid;tris(ethane-1,2-diamine) (CID 175320087) is boric acid;tris(ethane-1,2-diamine).
What is the SMILES notation for boric acid;tris(ethane-1,2-diamine)?
The canonical SMILES for boric acid;tris(ethane-1,2-diamine) is NCCN.NCCN.NCCN.OB(O)O.
What is the InChIKey of boric acid;tris(ethane-1,2-diamine)?
The InChIKey is OGQFCKDWFOUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N2.BH3O3/c3*3-1-2-4;2-1(3)4/h3*1-4H2;2-4H.
What are the key properties of boric acid;tris(ethane-1,2-diamine)?
boric acid;tris(ethane-1,2-diamine) has a molecular weight of 242.13 g/mol, XLogP of -5.34, 3 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(ethane-1,2-diamine) is sourced from PubChem (CID 175320087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).