5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H19N5O — CID 62347857

IUPAC5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCCC2CCCCN2)n2ncnc2n1
InChIInChI=1S/C13H19N5O/c1-10-8-12(18-13(17-10)15-9-16-18)19-7-5-11-4-2-3-6-14-11/h8-9,11,14H,2-7H2,1H3
InChIKeyXEBCGIUBEHHVQF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.34
Rot. Bonds4

About 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 62347857) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID62347857
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCCC2CCCCN2)n2ncnc2n1
InChIInChI=1S/C13H19N5O/c1-10-8-12(18-13(17-10)15-9-16-18)19-7-5-11-4-2-3-6-14-11/h8-9,11,14H,2-7H2,1H3
InChIKeyXEBCGIUBEHHVQF-UHFFFAOYSA-N
XLogP1.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 62347857) is 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OCCC2CCCCN2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XEBCGIUBEHHVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-8-12(18-13(17-10)15-9-16-18)19-7-5-11-4-2-3-6-14-11/h8-9,11,14H,2-7H2,1H3.
What are the key properties of 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 261.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 62347857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).