2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine

C14H16N6O — CID 116641871

IUPAC2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
SMILESCc1ccc(-c2nnc(Cn3cc(CCN)nn3)o2)cc1
InChIInChI=1S/C14H16N6O/c1-10-2-4-11(5-3-10)14-18-17-13(21-14)9-20-8-12(6-7-15)16-19-20/h2-5,8H,6-7,9,15H2,1H3
InChIKeyAEHZMPHVDBTNSS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.19
Rot. Bonds5

About 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine

2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine (PubChem CID 116641871) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
PubChem CID116641871
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
SMILESCc1ccc(-c2nnc(Cn3cc(CCN)nn3)o2)cc1
InChIInChI=1S/C14H16N6O/c1-10-2-4-11(5-3-10)14-18-17-13(21-14)9-20-8-12(6-7-15)16-19-20/h2-5,8H,6-7,9,15H2,1H3
InChIKeyAEHZMPHVDBTNSS-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 55071823
1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79531091
2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641989
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
CID 62401525
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(5-bromofuran-2-yl)-1,3,4-oxadiazole
CID 62394240
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 62396005
2-[1-[(5-nitrofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine (CID 116641871) is 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine is Cc1ccc(-c2nnc(Cn3cc(CCN)nn3)o2)cc1.
What is the InChIKey of 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The InChIKey is AEHZMPHVDBTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10-2-4-11(5-3-10)14-18-17-13(21-14)9-20-8-12(6-7-15)16-19-20/h2-5,8H,6-7,9,15H2,1H3.
What are the key properties of 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine has a molecular weight of 284.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116641871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).