potassium tri(indazol-1-yl)boranuide

C21H16BKN6 — CID 134910198

IUPACpotassium tri(indazol-1-yl)boranuide
SMILES[K+].c1ccc2c(c1)cnn2[BH-](n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H16BN6.K/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;/h1-15,22H;/q-1;+1
InChIKeyXRKODBZOPHZZMS-UHFFFAOYSA-N
MW402.31 g/mol
LogP0.40
Rot. Bonds3

About potassium tri(indazol-1-yl)boranuide

potassium tri(indazol-1-yl)boranuide (PubChem CID 134910198) has the molecular formula C21H16BKN6 and a molecular weight of 402.31 g/mol. Its IUPAC name is potassium tri(indazol-1-yl)boranuide.

Molecular Properties

Compound Namepotassium tri(indazol-1-yl)boranuide
PubChem CID134910198
Molecular FormulaC21H16BKN6
Molecular Weight402.31 g/mol
Exact Mass402.12
IUPAC Namepotassium tri(indazol-1-yl)boranuide
SMILES[K+].c1ccc2c(c1)cnn2[BH-](n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H16BN6.K/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;/h1-15,22H;/q-1;+1
InChIKeyXRKODBZOPHZZMS-UHFFFAOYSA-N
XLogP0.40
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 potassium tri(indazol-1-yl)boranuide?
The IUPAC name of potassium tri(indazol-1-yl)boranuide (CID 134910198) is potassium tri(indazol-1-yl)boranuide.
What is the SMILES notation for potassium tri(indazol-1-yl)boranuide?
The canonical SMILES for potassium tri(indazol-1-yl)boranuide is [K+].c1ccc2c(c1)cnn2[BH-](n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of potassium tri(indazol-1-yl)boranuide?
The InChIKey is XRKODBZOPHZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BN6.K/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;/h1-15,22H;/q-1;+1.
What are the key properties of potassium tri(indazol-1-yl)boranuide?
potassium tri(indazol-1-yl)boranuide has a molecular weight of 402.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tri(indazol-1-yl)boranuide is sourced from PubChem (CID 134910198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).