5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

C21H24N6O2 — CID 7183450

IUPAC5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C21H24N6O2/c1-14-8-9-17(15(2)12-14)24-18(28)13-27-20(22)19(25-26-27)21(29)23-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13,22H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyKCMYNUCSYRLOCT-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.09
Rot. Bonds7

About 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 7183450) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
PubChem CID7183450
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C21H24N6O2/c1-14-8-9-17(15(2)12-14)24-18(28)13-27-20(22)19(25-26-27)21(29)23-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13,22H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyKCMYNUCSYRLOCT-UHFFFAOYSA-N
XLogP2.09
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)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-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20923798
5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853654
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853607
5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide
CID 20923677
5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853746
5-amino-1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 7180002
2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 20865644
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
5-amino-1-(2-anilino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide
CID 3240122
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 20853707
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
5-amino-N-[(3-methoxyphenyl)methyl]-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 2134784

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (CID 7183450) is 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is Cc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)c(C)c1.
What is the InChIKey of 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is KCMYNUCSYRLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-8-9-17(15(2)12-14)24-18(28)13-27-20(22)19(25-26-27)21(29)23-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13,22H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 7183450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).