1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol

C11H17N5O2 — CID 81444773

IUPAC1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2nnc(C(C)(C)C)o2)nn1
InChIInChI=1S/C11H17N5O2/c1-7(17)8-5-16(15-12-8)6-9-13-14-10(18-9)11(2,3)4/h5,7,17H,6H2,1-4H3
InChIKeyHINLIFINABFVBR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.06
Rot. Bonds3

About 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol

1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81444773) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID81444773
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2nnc(C(C)(C)C)o2)nn1
InChIInChI=1S/C11H17N5O2/c1-7(17)8-5-16(15-12-8)6-9-13-14-10(18-9)11(2,3)4/h5,7,17H,6H2,1-4H3
InChIKeyHINLIFINABFVBR-UHFFFAOYSA-N
XLogP1.06
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol (CID 81444773) is 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2nnc(C(C)(C)C)o2)nn1.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is HINLIFINABFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(17)8-5-16(15-12-8)6-9-13-14-10(18-9)11(2,3)4/h5,7,17H,6H2,1-4H3.
What are the key properties of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81444773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).