potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

C7H4KN3O2 — CID 153470348

IUPACpotassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESO=C([O-])c1nnc2ccccn12.[K+]
InChIInChI=1S/C7H5N3O2.K/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);/q;+1/p-1
InChIKeyRFVRUWVAOKPDHN-UHFFFAOYSA-M
MW201.23 g/mol
LogP-3.90
Rot. Bonds1

About potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (PubChem CID 153470348) has the molecular formula C7H4KN3O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
PubChem CID153470348
Molecular FormulaC7H4KN3O2
Molecular Weight201.23 g/mol
Exact Mass200.99
IUPAC Namepotassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESO=C([O-])c1nnc2ccccn12.[K+]
InChIInChI=1S/C7H5N3O2.K/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);/q;+1/p-1
InChIKeyRFVRUWVAOKPDHN-UHFFFAOYSA-M
XLogP-3.90
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-3.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175937217
CID 175937217
[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 86307043
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 170633995
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
1-(1-methylpyrrol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 31098740
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110

Frequently Asked Questions

What is the IUPAC name of potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The IUPAC name of potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (CID 153470348) is potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.
What is the SMILES notation for potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The canonical SMILES for potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is O=C([O-])c1nnc2ccccn12.[K+].
What is the InChIKey of potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The InChIKey is RFVRUWVAOKPDHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5N3O2.K/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);/q;+1/p-1.
What are the key properties of potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate has a molecular weight of 201.23 g/mol, XLogP of -3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is sourced from PubChem (CID 153470348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).