5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole

C8H11N5O — CID 146448711

IUPAC5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cn(CC)nn2)no1
InChIInChI=1S/C8H11N5O/c1-3-7-9-8(11-14-7)6-5-13(4-2)12-10-6/h5H,3-4H2,1-2H3
InChIKeyOKLKSQVFXBKMJB-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.91
Rot. Bonds3

About 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole

5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 146448711) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID146448711
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cn(CC)nn2)no1
InChIInChI=1S/C8H11N5O/c1-3-7-9-8(11-14-7)6-5-13(4-2)12-10-6/h5H,3-4H2,1-2H3
InChIKeyOKLKSQVFXBKMJB-UHFFFAOYSA-N
XLogP0.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]acetamide
CID 56909432
5-ethyl-3-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,2,4-oxadiazole
CID 72884296
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
[1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313958
5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
CID 167887039
5-Methyl-3-(pyrazin-2-yl)-1,2,4-oxadiazole
CID 13715707
5-Ethyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 21560762
5-Tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 59019222
3-(5-Methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole
CID 59260120
5-Methyl-3-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 59809298
5-Propan-2-yl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 67986592

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole (CID 146448711) is 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole is CCc1nc(-c2cn(CC)nn2)no1.
What is the InChIKey of 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is OKLKSQVFXBKMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-7-9-8(11-14-7)6-5-13(4-2)12-10-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 193.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).