5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

C12H19N5O — CID 71974197

IUPAC5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2nc(CC)nc2CC)n1
InChIInChI=1S/C12H19N5O/c1-4-7-10-14-12(18-16-10)8-17-11(6-3)13-9(5-2)15-17/h4-8H2,1-3H3
InChIKeyWCFARFTYFMCMHU-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.79
Rot. Bonds6

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

5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 71974197) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID71974197
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2nc(CC)nc2CC)n1
InChIInChI=1S/C12H19N5O/c1-4-7-10-14-12(18-16-10)8-17-11(6-3)13-9(5-2)15-17/h4-8H2,1-3H3
InChIKeyWCFARFTYFMCMHU-UHFFFAOYSA-N
XLogP1.79
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-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

5-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 53565315
3-Cyclopropyl-5-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53574837
3-(2-Methylpropyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53589615
5-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 53609365
3-Cyclopropyl-5-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53610042
5-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 53611450
3-Propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780629
3-Tert-butyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780630
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 72114175
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 124214405
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 124216655

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 71974197) is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(Cn2nc(CC)nc2CC)n1.
What is the InChIKey of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is WCFARFTYFMCMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-7-10-14-12(18-16-10)8-17-11(6-3)13-9(5-2)15-17/h4-8H2,1-3H3.
What are the key properties of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 249.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 71974197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).