potassium 4-methyl-2-(triazol-2-yl)benzoate

C10H8KN3O2 — CID 135371590

IUPACpotassium 4-methyl-2-(triazol-2-yl)benzoate
SMILESCc1ccc(C(=O)[O-])c(-n2nccn2)c1.[K+]
InChIInChI=1S/C10H9N3O2.K/c1-7-2-3-8(10(14)15)9(6-7)13-11-4-5-12-13;/h2-6H,1H3,(H,14,15);/q;+1/p-1
InChIKeyHNDNGFSSJCHRDM-UHFFFAOYSA-M
MW241.29 g/mol
LogP-3.06
Rot. Bonds2

About potassium 4-methyl-2-(triazol-2-yl)benzoate

potassium 4-methyl-2-(triazol-2-yl)benzoate (PubChem CID 135371590) has the molecular formula C10H8KN3O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is potassium 4-methyl-2-(triazol-2-yl)benzoate.

Molecular Properties

Compound Namepotassium 4-methyl-2-(triazol-2-yl)benzoate
PubChem CID135371590
Molecular FormulaC10H8KN3O2
Molecular Weight241.29 g/mol
Exact Mass241.03
IUPAC Namepotassium 4-methyl-2-(triazol-2-yl)benzoate
SMILESCc1ccc(C(=O)[O-])c(-n2nccn2)c1.[K+]
InChIInChI=1S/C10H9N3O2.K/c1-7-2-3-8(10(14)15)9(6-7)13-11-4-5-12-13;/h2-6H,1H3,(H,14,15);/q;+1/p-1
InChIKeyHNDNGFSSJCHRDM-UHFFFAOYSA-M
XLogP-3.06
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 4-methyl-2-(triazol-2-yl)benzoate?
The IUPAC name of potassium 4-methyl-2-(triazol-2-yl)benzoate (CID 135371590) is potassium 4-methyl-2-(triazol-2-yl)benzoate.
What is the SMILES notation for potassium 4-methyl-2-(triazol-2-yl)benzoate?
The canonical SMILES for potassium 4-methyl-2-(triazol-2-yl)benzoate is Cc1ccc(C(=O)[O-])c(-n2nccn2)c1.[K+].
What is the InChIKey of potassium 4-methyl-2-(triazol-2-yl)benzoate?
The InChIKey is HNDNGFSSJCHRDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9N3O2.K/c1-7-2-3-8(10(14)15)9(6-7)13-11-4-5-12-13;/h2-6H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 4-methyl-2-(triazol-2-yl)benzoate?
potassium 4-methyl-2-(triazol-2-yl)benzoate has a molecular weight of 241.29 g/mol, XLogP of -3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methyl-2-(triazol-2-yl)benzoate is sourced from PubChem (CID 135371590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).