CID 174882611

C6H10B3N — CID 174882611

IUPAC—
SMILES[B][B][B]CC.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H5B3/c1-2-4-5-3-1;1-2-4-5-3/h1-5H;2H2,1H3
InChIKeyQTURSAXBNKDTIU-UHFFFAOYSA-N
MW128.59 g/mol
LogP0.85
Rot. Bonds2

About CID 174882611

CID 174882611 (PubChem CID 174882611) has the molecular formula C6H10B3N and a molecular weight of 128.59 g/mol.

Molecular Properties

Compound NameCID 174882611
PubChem CID174882611
Molecular FormulaC6H10B3N
Molecular Weight128.59 g/mol
Exact Mass129.11
IUPAC Name—
SMILES[B][B][B]CC.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H5B3/c1-2-4-5-3-1;1-2-4-5-3/h1-5H;2H2,1H3
InChIKeyQTURSAXBNKDTIU-UHFFFAOYSA-N
XLogP0.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.59
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 CID 174882611?
The IUPAC name of CID 174882611 (CID 174882611) is not available.
What is the SMILES notation for CID 174882611?
The canonical SMILES for CID 174882611 is [B][B][B]CC.c1cc[nH]c1.
What is the InChIKey of CID 174882611?
The InChIKey is QTURSAXBNKDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2H5B3/c1-2-4-5-3-1;1-2-4-5-3/h1-5H;2H2,1H3.
What are the key properties of CID 174882611?
CID 174882611 has a molecular weight of 128.59 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174882611 is sourced from PubChem (CID 174882611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).