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

C12H17N5O — CID 55065412

IUPAC5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCCN2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-6-11(17-12(16-9)14-8-15-17)18-7-10-4-2-3-5-13-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyXAPVKVBZCNVBGE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.95
Rot. Bonds3

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

5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 55065412) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID55065412
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCCN2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-6-11(17-12(16-9)14-8-15-17)18-7-10-4-2-3-5-13-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyXAPVKVBZCNVBGE-UHFFFAOYSA-N
XLogP0.95
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 55065412) is 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OCC2CCCCN2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XAPVKVBZCNVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-6-11(17-12(16-9)14-8-15-17)18-7-10-4-2-3-5-13-10/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 247.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 55065412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).