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

C8H11N5O — CID 167249403

IUPAC5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2noc(C)n2)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)14-13-8/h3-4H2,1-2H3,(H,9,11,12)
InChIKeyUFJCXEOAEGJQDC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.59
Rot. Bonds3

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

5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 167249403) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
PubChem CID167249403
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2noc(C)n2)n[nH]1
InChIInChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)14-13-8/h3-4H2,1-2H3,(H,9,11,12)
InChIKeyUFJCXEOAEGJQDC-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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Related Compounds

3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-1,2,4-oxadiazole
CID 40118615
5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 47155591
3-methyl-5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 146512432
5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole
CID 156547513
3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
CID 157610669
3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
CID 158096008
bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole
CID 160607532
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
CID 160885935
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-2H-tetrazole
CID 161430135
3-methyl-5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 18166645
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 18166650
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
CID 24649757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole (CID 167249403) is 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is Cc1nc(CCc2noc(C)n2)n[nH]1.
What is the InChIKey of 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is UFJCXEOAEGJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-9-7(12-11-5)3-4-8-10-6(2)14-13-8/h3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole?
5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-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 5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167249403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).