ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate

C19H18N4O3 — CID 24825050

IUPACethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-3-26-19(25)14-6-8-15(9-7-14)21-18(24)17-20-12-23(22-17)16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyOOHHHUAOZAONGO-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate

ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate (PubChem CID 24825050) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
PubChem CID24825050
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Nameethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-3-26-19(25)14-6-8-15(9-7-14)21-18(24)17-20-12-23(22-17)16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyOOHHHUAOZAONGO-UHFFFAOYSA-N
XLogP3.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate 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

ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 24825087
methyl 4-[[1-(4-chlorophenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 15944326
ethane;methyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 144636551
ethyl 4-[4-methyl-5-(phenylcarbamoyl)triazol-2-yl]benzoate
CID 172704900
1-(4-methylphenyl)-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
CID 42656771
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate
CID 134090109
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate (CID 24825050) is ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate?
The InChIKey is OOHHHUAOZAONGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-26-19(25)14-6-8-15(9-7-14)21-18(24)17-20-12-23(22-17)16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate?
ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate has a molecular weight of 350.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 24825050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).