ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C15H16N6O3 — CID 112526673

IUPACethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2ccc3cccc(N)c32)nn1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)17-12-8-20(19-18-12)9-13(22)21-7-6-10-4-3-5-11(16)14(10)21/h3-8H,2,9,16H2,1H3,(H,17,23)
InChIKeyPUDGDNRKCULWLZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.72
Rot. Bonds4

About ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112526673) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112526673
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Nameethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2ccc3cccc(N)c32)nn1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)17-12-8-20(19-18-12)9-13(22)21-7-6-10-4-3-5-11(16)14(10)21/h3-8H,2,9,16H2,1H3,(H,17,23)
InChIKeyPUDGDNRKCULWLZ-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

methyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526671
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525063
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527924
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
ethyl N-[1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524316
methyl N-[1-[2-(4-amino-3-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525149
ethyl N-[1-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523159

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112526673) is ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cn(CC(=O)n2ccc3cccc(N)c32)nn1.
What is the InChIKey of ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is PUDGDNRKCULWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-24-15(23)17-12-8-20(19-18-12)9-13(22)21-7-6-10-4-3-5-11(16)14(10)21/h3-8H,2,9,16H2,1H3,(H,17,23).
What are the key properties of ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[1-[2-(7-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-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112526673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).