[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate

C14H14N4O2 — CID 175264524

IUPAC[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
SMILESCC(=O)Oc1cnnn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4O2/c1-10(19)20-14-9-16-17-18(14)7-6-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyKNKUQRRDFAASBF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.93
Rot. Bonds4

About [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate

[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate (PubChem CID 175264524) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate.

Molecular Properties

Compound Name[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
PubChem CID175264524
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
SMILESCC(=O)Oc1cnnn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4O2/c1-10(19)20-14-9-16-17-18(14)7-6-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyKNKUQRRDFAASBF-UHFFFAOYSA-N
XLogP1.93
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate 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

[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
[3-acetyl-1-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-yl] acetate
CID 118231522
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214
S-[4-(1H-indol-3-yl)butyl] ethanethioate
CID 125470849
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
CID 175489562
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate?
The IUPAC name of [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate (CID 175264524) is [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate.
What is the SMILES notation for [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate?
The canonical SMILES for [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate is CC(=O)Oc1cnnn1CCc1c[nH]c2ccccc12.
What is the InChIKey of [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate?
The InChIKey is KNKUQRRDFAASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10(19)20-14-9-16-17-18(14)7-6-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate?
[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate has a molecular weight of 270.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate is sourced from PubChem (CID 175264524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).