2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol

C13H18FN3O — CID 171604131

IUPAC2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol
SMILESCC(C)(C)c1cc(F)c(C(C)(C)O)n2ncnc12
InChIInChI=1S/C13H18FN3O/c1-12(2,3)8-6-9(14)10(13(4,5)18)17-11(8)15-7-16-17/h6-7,18H,1-5H3
InChIKeyXBYFPWFPTSAZLR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.39
Rot. Bonds1

About 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol

2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol (PubChem CID 171604131) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol
PubChem CID171604131
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol
SMILESCC(C)(C)c1cc(F)c(C(C)(C)O)n2ncnc12
InChIInChI=1S/C13H18FN3O/c1-12(2,3)8-6-9(14)10(13(4,5)18)17-11(8)15-7-16-17/h6-7,18H,1-5H3
InChIKeyXBYFPWFPTSAZLR-UHFFFAOYSA-N
XLogP2.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol?
The IUPAC name of 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol (CID 171604131) is 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol.
What is the SMILES notation for 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol?
The canonical SMILES for 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol is CC(C)(C)c1cc(F)c(C(C)(C)O)n2ncnc12.
What is the InChIKey of 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol?
The InChIKey is XBYFPWFPTSAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-12(2,3)8-6-9(14)10(13(4,5)18)17-11(8)15-7-16-17/h6-7,18H,1-5H3.
What are the key properties of 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol?
2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol has a molecular weight of 251.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol is sourced from PubChem (CID 171604131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).