N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

C17H15FN4O — CID 42692572

IUPACN-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1C
InChIInChI=1S/C17H15FN4O/c1-11-7-3-6-10-15(11)22-12(2)19-16(21-22)17(23)20-14-9-5-4-8-13(14)18/h3-10H,1-2H3,(H,20,23)
InChIKeyDAAWTHFSRKWJQI-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

About N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692572) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692572
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1C
InChIInChI=1S/C17H15FN4O/c1-11-7-3-6-10-15(11)22-12(2)19-16(21-22)17(23)20-14-9-5-4-8-13(14)18/h3-10H,1-2H3,(H,20,23)
InChIKeyDAAWTHFSRKWJQI-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692572) is N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1C.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is DAAWTHFSRKWJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-7-3-6-10-15(11)22-12(2)19-16(21-22)17(23)20-14-9-5-4-8-13(14)18/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).