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

C11H12N6OS — CID 79541947

IUPAC5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H12N6OS/c1-2-8-10(12)14-16-17(8)5-9-13-11(15-18-9)7-3-4-19-6-7/h3-4,6H,2,5,12H2,1H3
InChIKeyIVUHGSINAVHCRW-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.58
Rot. Bonds4

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

5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (PubChem CID 79541947) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
PubChem CID79541947
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H12N6OS/c1-2-8-10(12)14-16-17(8)5-9-13-11(15-18-9)7-3-4-19-6-7/h3-4,6H,2,5,12H2,1H3
InChIKeyIVUHGSINAVHCRW-UHFFFAOYSA-N
XLogP1.58
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79543214
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
1-propyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 8627216
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
CID 79542695
5,6-dimethyl-3-oxo-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9309213
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059910

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (CID 79541947) is 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The InChIKey is IVUHGSINAVHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-2-8-10(12)14-16-17(8)5-9-13-11(15-18-9)7-3-4-19-6-7/h3-4,6H,2,5,12H2,1H3.
What are the key properties of 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine has a molecular weight of 276.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79541947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).