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

C12H14N6OS — CID 106227525

IUPAC1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2noc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H14N6OS/c1-2-9(13)10-5-18(17-15-10)6-11-14-12(19-16-11)8-3-4-20-7-8/h3-5,7,9H,2,6,13H2,1H3
InChIKeyBRPXMRRMBIVYIY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.85
Rot. Bonds5

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

1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106227525) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106227525
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2noc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H14N6OS/c1-2-9(13)10-5-18(17-15-10)6-11-14-12(19-16-11)8-3-4-20-7-8/h3-5,7,9H,2,6,13H2,1H3
InChIKeyBRPXMRRMBIVYIY-UHFFFAOYSA-N
XLogP1.85
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine with MolForge

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Related Compounds

1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 106228706
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
1-[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanamine
CID 114420021
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 81449143
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 81449374
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228344
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine (CID 106227525) is 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2noc(-c3ccsc3)n2)nn1.
What is the InChIKey of 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is BRPXMRRMBIVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-2-9(13)10-5-18(17-15-10)6-11-14-12(19-16-11)8-3-4-20-7-8/h3-5,7,9H,2,6,13H2,1H3.
What are the key properties of 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 290.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).