CID 175145864

C6H11BN3 — CID 175145864

IUPAC—
SMILESN.Nc1ccccc1N.[B]
InChIInChI=1S/C6H8N2.B.H3N/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;;1H3
InChIKeyZEIYBQIBDLAZAG-UHFFFAOYSA-N
MW135.99 g/mol
LogP0.63
Rot. Bonds

About CID 175145864

CID 175145864 (PubChem CID 175145864) has the molecular formula C6H11BN3 and a molecular weight of 135.99 g/mol.

Molecular Properties

Compound NameCID 175145864
PubChem CID175145864
Molecular FormulaC6H11BN3
Molecular Weight135.99 g/mol
Exact Mass136.10
IUPAC Name—
SMILESN.Nc1ccccc1N.[B]
InChIInChI=1S/C6H8N2.B.H3N/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;;1H3
InChIKeyZEIYBQIBDLAZAG-UHFFFAOYSA-N
XLogP0.63
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.99
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175145864?
The IUPAC name of CID 175145864 (CID 175145864) is not available.
What is the SMILES notation for CID 175145864?
The canonical SMILES for CID 175145864 is N.Nc1ccccc1N.[B].
What is the InChIKey of CID 175145864?
The InChIKey is ZEIYBQIBDLAZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.B.H3N/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;;1H3.
What are the key properties of CID 175145864?
CID 175145864 has a molecular weight of 135.99 g/mol, XLogP of 0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175145864 is sourced from PubChem (CID 175145864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).