2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole

C8H11N5O — CID 138703177

IUPAC2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc(CCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-10-5)3-4-8-13-11-6(2)14-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKeyHPQXKWVOTBQVGL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.59
Rot. Bonds3

About 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole

2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 138703177) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole
PubChem CID138703177
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc(CCc2nnc(C)o2)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-10-5)3-4-8-13-11-6(2)14-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKeyHPQXKWVOTBQVGL-UHFFFAOYSA-N
XLogP0.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole (CID 138703177) is 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole is Cc1nc(CCc2nnc(C)o2)n[nH]1.
What is the InChIKey of 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is HPQXKWVOTBQVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-9-7(12-10-5)3-4-8-13-11-6(2)14-8/h3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole?
2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 193.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).