Potassiumtri(1H-imidazol-1-yl)hydroborate

C9H9BKN6 — CID 23674403

IUPAC—
SMILES[K+].c1cn([B-](n2ccnc2)n2ccnc2)cn1
InChIInChI=1S/C9H9BN6.K/c1-4-14(7-11-1)10(15-5-2-12-8-15)16-6-3-13-9-16;/h1-9H;/q-1;+1
InChIKeyVKOUUQNTWYRPFD-UHFFFAOYSA-N
MW251.12 g/mol
LogP-2.79
Rot. Bonds3

About Potassiumtri(1H-imidazol-1-yl)hydroborate

Potassiumtri(1H-imidazol-1-yl)hydroborate (PubChem CID 23674403) has the molecular formula C9H9BKN6 and a molecular weight of 251.12 g/mol.

Molecular Properties

Compound NamePotassiumtri(1H-imidazol-1-yl)hydroborate
PubChem CID23674403
Molecular FormulaC9H9BKN6
Molecular Weight251.12 g/mol
Exact Mass251.06
IUPAC Name—
SMILES[K+].c1cn([B-](n2ccnc2)n2ccnc2)cn1
InChIInChI=1S/C9H9BN6.K/c1-4-14(7-11-1)10(15-5-2-12-8-15)16-6-3-13-9-16;/h1-9H;/q-1;+1
InChIKeyVKOUUQNTWYRPFD-UHFFFAOYSA-N
XLogP-2.79
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 5-2.79
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

CID 11093147
CID 11093147
imidazol-1-ylalumane
CID 149115498
hydron;1-methylimidazole
CID 67251829
aluminum;bis(1-methylimidazole);trichloride
CID 22075407
chloro-imidazol-1-yl-methylsilane
CID 155761466
CID 173148040
CID 173148040
azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176
CID 134978870
CID 134978870
ethene;1-methylimidazole
CID 70468306
1-(tribromomethyl)imidazole
CID 174422009
potassium imidazole-1-carbodithioate
CID 102210808
1-bromoimidazole;hexane
CID 175190317

Frequently Asked Questions

What is the IUPAC name of Potassiumtri(1H-imidazol-1-yl)hydroborate?
The IUPAC name of Potassiumtri(1H-imidazol-1-yl)hydroborate (CID 23674403) is not available.
What is the SMILES notation for Potassiumtri(1H-imidazol-1-yl)hydroborate?
The canonical SMILES for Potassiumtri(1H-imidazol-1-yl)hydroborate is [K+].c1cn([B-](n2ccnc2)n2ccnc2)cn1.
What is the InChIKey of Potassiumtri(1H-imidazol-1-yl)hydroborate?
The InChIKey is VKOUUQNTWYRPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BN6.K/c1-4-14(7-11-1)10(15-5-2-12-8-15)16-6-3-13-9-16;/h1-9H;/q-1;+1.
What are the key properties of Potassiumtri(1H-imidazol-1-yl)hydroborate?
Potassiumtri(1H-imidazol-1-yl)hydroborate has a molecular weight of 251.12 g/mol, XLogP of -2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Potassiumtri(1H-imidazol-1-yl)hydroborate is sourced from PubChem (CID 23674403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).