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

C9H13N5O — CID 146448592

IUPAC5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1cc(-c2noc(CC)n2)nn1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3
InChIKeyXLUOTNZPIDLNPM-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.30
Rot. Bonds4

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

5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 146448592) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID146448592
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1cc(-c2noc(CC)n2)nn1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3
InChIKeyXLUOTNZPIDLNPM-UHFFFAOYSA-N
XLogP1.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-(1-propyltriazol-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-propyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole (CID 146448592) is 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole is CCCn1cc(-c2noc(CC)n2)nn1.
What is the InChIKey of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is XLUOTNZPIDLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 207.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146448592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).