tri(indazol-1-yl)borane

C21H15BN6 — CID 91134491

IUPACtri(indazol-1-yl)borane
SMILESc1ccc2c(c1)cnn2B(n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H15BN6/c1-4-10-19-16(7-1)13-23-26(19)22(27-20-11-5-2-8-17(20)14-24-27)28-21-12-6-3-9-18(21)15-25-28/h1-15H
InChIKeyCJVAEERNUDYQFL-UHFFFAOYSA-N
MW362.21 g/mol
LogP3.67
Rot. Bonds3

About tri(indazol-1-yl)borane

tri(indazol-1-yl)borane (PubChem CID 91134491) has the molecular formula C21H15BN6 and a molecular weight of 362.21 g/mol. Its IUPAC name is tri(indazol-1-yl)borane.

Molecular Properties

Compound Nametri(indazol-1-yl)borane
PubChem CID91134491
Molecular FormulaC21H15BN6
Molecular Weight362.21 g/mol
Exact Mass362.15
IUPAC Nametri(indazol-1-yl)borane
SMILESc1ccc2c(c1)cnn2B(n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H15BN6/c1-4-10-19-16(7-1)13-23-26(19)22(27-20-11-5-2-8-17(20)14-24-27)28-21-12-6-3-9-18(21)15-25-28/h1-15H
InChIKeyCJVAEERNUDYQFL-UHFFFAOYSA-N
XLogP3.67
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

It-139
CID 25134754
Indazole-1-carbothioylsulfanyl indazole-1-carbodithioate
CID 162658057
KP-1019
CID 133083029
RuCl4(1H-indazole)2
CID 9806062
N-Phenyl-2H-indazol-2-amine
CID 13143691
Pyridazino[1,6-b]indazole
CID 12254050
Tris(3-phenylpyrazolyl)borate
CID 23106032
tris(2H-indazol-3-yl)borane
CID 66908326
Tetrazino[1,6-b]indazole
CID 67063068
Hydrotris(indazolyl)borate
CID 69615638
tris(1H-indazole);tetrachlororuthenium;hydrate
CID 129643357
sodium;1H-indazole;ruthenium(3+);tetrachloride
CID 10481153

Frequently Asked Questions

What is the IUPAC name of tri(indazol-1-yl)borane?
The IUPAC name of tri(indazol-1-yl)borane (CID 91134491) is tri(indazol-1-yl)borane.
What is the SMILES notation for tri(indazol-1-yl)borane?
The canonical SMILES for tri(indazol-1-yl)borane is c1ccc2c(c1)cnn2B(n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of tri(indazol-1-yl)borane?
The InChIKey is CJVAEERNUDYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BN6/c1-4-10-19-16(7-1)13-23-26(19)22(27-20-11-5-2-8-17(20)14-24-27)28-21-12-6-3-9-18(21)15-25-28/h1-15H.
What are the key properties of tri(indazol-1-yl)borane?
tri(indazol-1-yl)borane has a molecular weight of 362.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tri(indazol-1-yl)borane is sourced from PubChem (CID 91134491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).