potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

C7H5KN4O2 — CID 23662658

IUPACpotassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)[O-])cnc2nncn12.[K+]
InChIInChI=1S/C7H6N4O2.K/c1-4-5(6(12)13)2-8-7-10-9-3-11(4)7;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyQMYPIAMICRAMQO-UHFFFAOYSA-M
MW216.24 g/mol
LogP-4.20
Rot. Bonds1

About potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (PubChem CID 23662658) has the molecular formula C7H5KN4O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepotassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
PubChem CID23662658
Molecular FormulaC7H5KN4O2
Molecular Weight216.24 g/mol
Exact Mass216.00
IUPAC Namepotassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)[O-])cnc2nncn12.[K+]
InChIInChI=1S/C7H6N4O2.K/c1-4-5(6(12)13)2-8-7-10-9-3-11(4)7;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyQMYPIAMICRAMQO-UHFFFAOYSA-M
XLogP-4.20
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-4.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate?
The IUPAC name of potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (CID 23662658) is potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate.
What is the SMILES notation for potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate?
The canonical SMILES for potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate is Cc1c(C(=O)[O-])cnc2nncn12.[K+].
What is the InChIKey of potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate?
The InChIKey is QMYPIAMICRAMQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N4O2.K/c1-4-5(6(12)13)2-8-7-10-9-3-11(4)7;/h2-3H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate?
potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate has a molecular weight of 216.24 g/mol, XLogP of -4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 23662658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).