potassium benzotriazol-1-ide

C6H4KN3 — CID 11105616

IUPACpotassium benzotriazol-1-ide
SMILES[K+].c1ccc2[n-]nnc2c1
InChIInChI=1S/C6H4N3.K/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1
InChIKeyYAFMHFATKDXBKQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-2.41
Rot. Bonds

About potassium benzotriazol-1-ide

potassium benzotriazol-1-ide (PubChem CID 11105616) has the molecular formula C6H4KN3 and a molecular weight of 157.22 g/mol. Its IUPAC name is potassium benzotriazol-1-ide.

Molecular Properties

Compound Namepotassium benzotriazol-1-ide
PubChem CID11105616
Molecular FormulaC6H4KN3
Molecular Weight157.22 g/mol
Exact Mass157.00
IUPAC Namepotassium benzotriazol-1-ide
SMILES[K+].c1ccc2[n-]nnc2c1
InChIInChI=1S/C6H4N3.K/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1
InChIKeyYAFMHFATKDXBKQ-UHFFFAOYSA-N
XLogP-2.41
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium benzotriazol-1-ide?
The IUPAC name of potassium benzotriazol-1-ide (CID 11105616) is potassium benzotriazol-1-ide.
What is the SMILES notation for potassium benzotriazol-1-ide?
The canonical SMILES for potassium benzotriazol-1-ide is [K+].c1ccc2[n-]nnc2c1.
What is the InChIKey of potassium benzotriazol-1-ide?
The InChIKey is YAFMHFATKDXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.K/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1.
What are the key properties of potassium benzotriazol-1-ide?
potassium benzotriazol-1-ide has a molecular weight of 157.22 g/mol, XLogP of -2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzotriazol-1-ide is sourced from PubChem (CID 11105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).