7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H17N5 — CID 47299227

IUPAC7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CC3CCC2C3)n2ncnc2n1
InChIInChI=1S/C13H17N5/c1-2-10-6-12(18-13(16-10)14-8-15-18)17-7-9-3-4-11(17)5-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyBOHAWIGKKMWZRB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.68
Rot. Bonds2

About 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 47299227) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID47299227
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CC3CCC2C3)n2ncnc2n1
InChIInChI=1S/C13H17N5/c1-2-10-6-12(18-13(16-10)14-8-15-18)17-7-9-3-4-11(17)5-9/h6,8-9,11H,2-5,7H2,1H3
InChIKeyBOHAWIGKKMWZRB-UHFFFAOYSA-N
XLogP1.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 47299227) is 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CC3CCC2C3)n2ncnc2n1.
What is the InChIKey of 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BOHAWIGKKMWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-10-6-12(18-13(16-10)14-8-15-18)17-7-9-3-4-11(17)5-9/h6,8-9,11H,2-5,7H2,1H3.
What are the key properties of 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 47299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).