5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine

C13H13FN6O — CID 79535777

IUPAC5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H13FN6O/c1-2-10-12(15)17-19-20(10)7-11-16-13(18-21-11)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3
InChIKeySDHHJBRDAFTKSL-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.66
Rot. Bonds4

About 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine

5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine (PubChem CID 79535777) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
PubChem CID79535777
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC Name5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H13FN6O/c1-2-10-12(15)17-19-20(10)7-11-16-13(18-21-11)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3
InChIKeySDHHJBRDAFTKSL-UHFFFAOYSA-N
XLogP1.66
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine 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

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
CID 79542695
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79543214
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanamine
CID 119920805
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
3-(4-fluorophenyl)-5-[2-(4-iodo-5-methylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 19326319
5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
CID 79536309
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79542816
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9354090

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine (CID 79535777) is 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine is CCc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine?
The InChIKey is SDHHJBRDAFTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c1-2-10-12(15)17-19-20(10)7-11-16-13(18-21-11)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3.
What are the key properties of 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine?
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine has a molecular weight of 288.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79535777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).