Triethylborazole

C9H15BN — CID 66895505

IUPAC—
SMILESCCC1=N[B]C(CC)=C1CC
InChIInChI=1S/C9H15BN/c1-4-7-8(5-2)10-11-9(7)6-3/h4-6H2,1-3H3
InChIKeyKTLWWKDZAAMJAD-UHFFFAOYSA-N
MW148.04 g/mol
LogP2.54
Rot. Bonds3

About Triethylborazole

Triethylborazole (PubChem CID 66895505) has the molecular formula C9H15BN and a molecular weight of 148.04 g/mol.

Molecular Properties

Compound NameTriethylborazole
PubChem CID66895505
Molecular FormulaC9H15BN
Molecular Weight148.04 g/mol
Exact Mass148.13
IUPAC Name—
SMILESCCC1=N[B]C(CC)=C1CC
InChIInChI=1S/C9H15BN/c1-4-7-8(5-2)10-11-9(7)6-3/h4-6H2,1-3H3
InChIKeyKTLWWKDZAAMJAD-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.04
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 Triethylborazole?
The IUPAC name of Triethylborazole (CID 66895505) is not available.
What is the SMILES notation for Triethylborazole?
The canonical SMILES for Triethylborazole is CCC1=N[B]C(CC)=C1CC.
What is the InChIKey of Triethylborazole?
The InChIKey is KTLWWKDZAAMJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN/c1-4-7-8(5-2)10-11-9(7)6-3/h4-6H2,1-3H3.
What are the key properties of Triethylborazole?
Triethylborazole has a molecular weight of 148.04 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Triethylborazole is sourced from PubChem (CID 66895505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).