ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C15H16N6O3 — CID 112526365

IUPACethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)n2ccc3c(N)cccc32)n1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)18-13-8-17-21(19-13)9-14(22)20-7-6-10-11(16)4-3-5-12(10)20/h3-8H,2,9,16H2,1H3,(H,18,19,23)
InChIKeyXFIOCWPJWBDJIX-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.72
Rot. Bonds4

About ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112526365) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112526365
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Nameethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)n2ccc3c(N)cccc32)n1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)18-13-8-17-21(19-13)9-14(22)20-7-6-10-11(16)4-3-5-12(10)20/h3-8H,2,9,16H2,1H3,(H,18,19,23)
InChIKeyXFIOCWPJWBDJIX-UHFFFAOYSA-N
XLogP1.72
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526366
methyl N-[2-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522812
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278
ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112532265
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
ethyl N-[2-[2-[[4-(aminomethyl)phenyl]sulfonylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112521966

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112526365) is ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)n2ccc3c(N)cccc32)n1.
What is the InChIKey of ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is XFIOCWPJWBDJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-24-15(23)18-13-8-17-21(19-13)9-14(22)20-7-6-10-11(16)4-3-5-12(10)20/h3-8H,2,9,16H2,1H3,(H,18,19,23).
What are the key properties of ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 328.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112526365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).