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

C14H14N6O2 — CID 112526659

IUPACN-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2ccc3cccc(N)c32)n1
InChIInChI=1S/C14H14N6O2/c1-9(21)17-12-7-16-20(18-12)8-13(22)19-6-5-10-3-2-4-11(15)14(10)19/h2-7H,8,15H2,1H3,(H,17,18,21)
InChIKeyGIVIIOQXHPFVRL-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.11
Rot. Bonds3

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

N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112526659) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112526659
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC NameN-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2ccc3cccc(N)c32)n1
InChIInChI=1S/C14H14N6O2/c1-9(21)17-12-7-16-20(18-12)8-13(22)19-6-5-10-3-2-4-11(15)14(10)19/h2-7H,8,15H2,1H3,(H,17,18,21)
InChIKeyGIVIIOQXHPFVRL-UHFFFAOYSA-N
XLogP1.11
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526809
N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112521759
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
methyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526671
ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526673
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112527657
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112526583
methyl N-[2-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522812
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone
CID 112526657

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112526659) is N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)n2ccc3cccc(N)c32)n1.
What is the InChIKey of N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is GIVIIOQXHPFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9(21)17-12-7-16-20(18-12)8-13(22)19-6-5-10-3-2-4-11(15)14(10)19/h2-7H,8,15H2,1H3,(H,17,18,21).
What are the key properties of N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 298.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112526659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).