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

C14H16N6O — CID 106227723

IUPAC1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2noc(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H16N6O/c1-2-11(15)12-8-20(19-17-12)9-13-16-14(21-18-13)10-6-4-3-5-7-10/h3-8,11H,2,9,15H2,1H3
InChIKeyUNYUAFDDTXOQDL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.79
Rot. Bonds5

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

1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106227723) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106227723
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2noc(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H16N6O/c1-2-11(15)12-8-20(19-17-12)9-13-16-14(21-18-13)10-6-4-3-5-7-10/h3-8,11H,2,9,15H2,1H3
InChIKeyUNYUAFDDTXOQDL-UHFFFAOYSA-N
XLogP1.79
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227525
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 81449374
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
1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 106228706
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 81449143
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 81448567
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420018

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine (CID 106227723) is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2noc(-c3ccccc3)n2)nn1.
What is the InChIKey of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is UNYUAFDDTXOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-11(15)12-8-20(19-17-12)9-13-16-14(21-18-13)10-6-4-3-5-7-10/h3-8,11H,2,9,15H2,1H3.
What are the key properties of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 284.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).