2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide

C21H25N5O4 — CID 162650926

IUPAC2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3cc(OC)c(OC)c(OC)c3)nc2N)cc1
InChIInChI=1S/C21H25N5O4/c1-5-13-6-8-15(9-7-13)23-18(27)12-26-21(22)24-20(25-26)14-10-16(28-2)19(30-4)17(11-14)29-3/h6-11H,5,12H2,1-4H3,(H,23,27)(H2,22,24,25)
InChIKeyQPQJXDJTGZXWBJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.75
Rot. Bonds8

About 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide

2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 162650926) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID162650926
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3cc(OC)c(OC)c(OC)c3)nc2N)cc1
InChIInChI=1S/C21H25N5O4/c1-5-13-6-8-15(9-7-13)23-18(27)12-26-21(22)24-20(25-26)14-10-16(28-2)19(30-4)17(11-14)29-3/h6-11H,5,12H2,1-4H3,(H,23,27)(H2,22,24,25)
InChIKeyQPQJXDJTGZXWBJ-UHFFFAOYSA-N
XLogP2.75
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide 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

3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
4-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 11709873
N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-YL]aniline
CID 16109329
N-[4-(trifluoromethoxy)phenyl]-2-[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetamide
CID 1520522
2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
CID 1990048
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide
CID 4314426
N-{3-[7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide
CID 5164236
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxyphe nyl)acetamide
CID 16439445
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-methylphen yl)acetamide
CID 16439454
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-ethylpheny l)acetamide
CID 16439470
N-(3,4-dimethylphenyl)-1-[3-(3,4,5-trimethoxyanilino)propyl]-1,2,4-triazole-3-carboxamide
CID 45281070
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237053

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide (CID 162650926) is 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2nc(-c3cc(OC)c(OC)c(OC)c3)nc2N)cc1.
What is the InChIKey of 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is QPQJXDJTGZXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-5-13-6-8-15(9-7-13)23-18(27)12-26-21(22)24-20(25-26)14-10-16(28-2)19(30-4)17(11-14)29-3/h6-11H,5,12H2,1-4H3,(H,23,27)(H2,22,24,25).
What are the key properties of 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide?
2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 162650926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).