5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide

C22H26N6O2 — CID 15990803

IUPAC5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C22H26N6O2/c1-5-16-8-6-7-9-17(16)24-22(30)20-21(23)28(27-26-20)12-18(29)25-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12,23H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyQIRRSLAIDJNGPS-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.24
Rot. Bonds6

About 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide

5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide (PubChem CID 15990803) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
PubChem CID15990803
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C22H26N6O2/c1-5-16-8-6-7-9-17(16)24-22(30)20-21(23)28(27-26-20)12-18(29)25-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12,23H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyQIRRSLAIDJNGPS-UHFFFAOYSA-N
XLogP3.24
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide 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

5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
CID 50927865
5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 11957258
5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide
CID 20923677
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-methylphenyl)triazole-4-carboxamide
CID 20853613
5-amino-N-(2,3-dimethylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853818
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366130
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)triazole-4-carboxamide
CID 20923831
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 20853707
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide (CID 15990803) is 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide is CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cc(C)cc2C)c1N.
What is the InChIKey of 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide?
The InChIKey is QIRRSLAIDJNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-5-16-8-6-7-9-17(16)24-22(30)20-21(23)28(27-26-20)12-18(29)25-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12,23H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide?
5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 15990803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).