2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide

C20H19ClN4O2 — CID 50752404

IUPAC2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1ncc(-c2ccc(Cl)cc2)nc1=O
InChIInChI=1S/C20H19ClN4O2/c1-13(2)16-5-3-4-6-17(16)23-19(26)12-25-20(27)24-18(11-22-25)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyTWMRNINPSJHCQZ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.72
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide

2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 50752404) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID50752404
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1ncc(-c2ccc(Cl)cc2)nc1=O
InChIInChI=1S/C20H19ClN4O2/c1-13(2)16-5-3-4-6-17(16)23-19(26)12-25-20(27)24-18(11-22-25)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyTWMRNINPSJHCQZ-UHFFFAOYSA-N
XLogP3.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)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

2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide (CID 50752404) is 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cn1ncc(-c2ccc(Cl)cc2)nc1=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is TWMRNINPSJHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13(2)16-5-3-4-6-17(16)23-19(26)12-25-20(27)24-18(11-22-25)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide?
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 382.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 50752404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).