potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate

C9H7KN4O2 — CID 122191451

IUPACpotassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate
SMILESCn1cc(-c2cc(C(=O)[O-])ccn2)nn1.[K+]
InChIInChI=1S/C9H8N4O2.K/c1-13-5-8(11-12-13)7-4-6(9(14)15)2-3-10-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeyABSJQZWIHUPKMP-UHFFFAOYSA-M
MW242.28 g/mol
LogP-3.76
Rot. Bonds2

About potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate

potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate (PubChem CID 122191451) has the molecular formula C9H7KN4O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate
PubChem CID122191451
Molecular FormulaC9H7KN4O2
Molecular Weight242.28 g/mol
Exact Mass242.02
IUPAC Namepotassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate
SMILESCn1cc(-c2cc(C(=O)[O-])ccn2)nn1.[K+]
InChIInChI=1S/C9H8N4O2.K/c1-13-5-8(11-12-13)7-4-6(9(14)15)2-3-10-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeyABSJQZWIHUPKMP-UHFFFAOYSA-M
XLogP-3.76
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-3.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate?
The IUPAC name of potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate (CID 122191451) is potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate.
What is the SMILES notation for potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate?
The canonical SMILES for potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate is Cn1cc(-c2cc(C(=O)[O-])ccn2)nn1.[K+].
What is the InChIKey of potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate?
The InChIKey is ABSJQZWIHUPKMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N4O2.K/c1-13-5-8(11-12-13)7-4-6(9(14)15)2-3-10-7;/h2-5H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate?
potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate has a molecular weight of 242.28 g/mol, XLogP of -3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-methyltriazol-4-yl)pyridine-4-carboxylate is sourced from PubChem (CID 122191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).