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

C15H16N6O2 — CID 112526809

IUPACN-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2c(C)cc3cccc(N)c32)n1
InChIInChI=1S/C15H16N6O2/c1-9-6-11-4-3-5-12(16)15(11)21(9)14(23)8-20-17-7-13(19-20)18-10(2)22/h3-7H,8,16H2,1-2H3,(H,18,19,22)
InChIKeyUIGRHGOSIZICNT-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.42
Rot. Bonds3

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

N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112526809) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112526809
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2c(C)cc3cccc(N)c32)n1
InChIInChI=1S/C15H16N6O2/c1-9-6-11-4-3-5-12(16)15(11)21(9)14(23)8-20-17-7-13(19-20)18-10(2)22/h3-7H,8,16H2,1-2H3,(H,18,19,22)
InChIKeyUIGRHGOSIZICNT-UHFFFAOYSA-N
XLogP1.42
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.42
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-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112521759
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112527657
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-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 112521461

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112526809) is N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)n2c(C)cc3cccc(N)c32)n1.
What is the InChIKey of N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is UIGRHGOSIZICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-6-11-4-3-5-12(16)15(11)21(9)14(23)8-20-17-7-13(19-20)18-10(2)22/h3-7H,8,16H2,1-2H3,(H,18,19,22).
What are the key properties of N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.42, 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-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112526809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).