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

C11H15N5O — CID 62348616

IUPAC5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCN2)n2ncnc2n1
InChIInChI=1S/C11H15N5O/c1-8-5-10(16-11(15-8)13-7-14-16)17-6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyDYEGYDILKINXSQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.56
Rot. Bonds3

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

5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 62348616) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID62348616
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCN2)n2ncnc2n1
InChIInChI=1S/C11H15N5O/c1-8-5-10(16-11(15-8)13-7-14-16)17-6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyDYEGYDILKINXSQ-UHFFFAOYSA-N
XLogP0.56
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 62348616) is 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OCC2CCCN2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DYEGYDILKINXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-5-10(16-11(15-8)13-7-14-16)17-6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3.
What are the key properties of 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 233.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 62348616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).