2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

C13H16N6O2 — CID 166324003

IUPAC2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCC(C)(C)c1noc(-c2nc3ncc(CCO)cn3n2)n1
InChIInChI=1S/C13H16N6O2/c1-13(2,3)11-16-10(21-18-11)9-15-12-14-6-8(4-5-20)7-19(12)17-9/h6-7,20H,4-5H2,1-3H3
InChIKeyHVWRRPPMHRJPNU-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.01
Rot. Bonds3

About 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 166324003) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID166324003
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCC(C)(C)c1noc(-c2nc3ncc(CCO)cn3n2)n1
InChIInChI=1S/C13H16N6O2/c1-13(2,3)11-16-10(21-18-11)9-15-12-14-6-8(4-5-20)7-19(12)17-9/h6-7,20H,4-5H2,1-3H3
InChIKeyHVWRRPPMHRJPNU-UHFFFAOYSA-N
XLogP1.01
TPSA102.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol 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 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 166324003) is 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is CC(C)(C)c1noc(-c2nc3ncc(CCO)cn3n2)n1.
What is the InChIKey of 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is HVWRRPPMHRJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-13(2,3)11-16-10(21-18-11)9-15-12-14-6-8(4-5-20)7-19(12)17-9/h6-7,20H,4-5H2,1-3H3.
What are the key properties of 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 166324003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).