5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H20N4 — CID 71664667

IUPAC5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C13H20N4/c1-12(2,3)9-7-10(13(4,5)6)17-11(16-9)14-8-15-17/h7-8H,1-6H3
InChIKeyDXMVZLPEYZKQPE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds

About 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71664667) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71664667
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C13H20N4/c1-12(2,3)9-7-10(13(4,5)6)17-11(16-9)14-8-15-17/h7-8H,1-6H3
InChIKeyDXMVZLPEYZKQPE-UHFFFAOYSA-N
XLogP2.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71664667) is 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)(C)c1cc(C(C)(C)C)n2ncnc2n1.
What is the InChIKey of 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DXMVZLPEYZKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-12(2,3)9-7-10(13(4,5)6)17-11(16-9)14-8-15-17/h7-8H,1-6H3.
What are the key properties of 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71664667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).