5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide

C18H18FN5O — CID 17015813

IUPAC5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C18H18FN5O/c1-3-12-6-4-5-11(2)15(12)21-18(25)16-17(20)24(23-22-16)14-9-7-13(19)8-10-14/h4-10H,3,20H2,1-2H3,(H,21,25)
InChIKeyITFJYTWSRFGYAB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.11
Rot. Bonds4

About 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide

5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 17015813) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID17015813
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C18H18FN5O/c1-3-12-6-4-5-11(2)15(12)21-18(25)16-17(20)24(23-22-16)14-9-7-13(19)8-10-14/h4-10H,3,20H2,1-2H3,(H,21,25)
InChIKeyITFJYTWSRFGYAB-UHFFFAOYSA-N
XLogP3.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)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

N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
ethyl 5-(difluoromethyl)-1-(4-fluorophenyl)triazole-4-carboxylate
CID 102448685
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide (CID 17015813) is 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is ITFJYTWSRFGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-3-12-6-4-5-11(2)15(12)21-18(25)16-17(20)24(23-22-16)14-9-7-13(19)8-10-14/h4-10H,3,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).