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

C16H13FN4O — CID 42692527

IUPACN-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C16H13FN4O/c1-11-18-15(20-21(11)12-7-3-2-4-8-12)16(22)19-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,19,22)
InChIKeyOXTXQQXPEMENOG-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

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

N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692527) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692527
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C16H13FN4O/c1-11-18-15(20-21(11)12-7-3-2-4-8-12)16(22)19-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,19,22)
InChIKeyOXTXQQXPEMENOG-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-5-methyl-1-phenyl-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-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692527) is N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccccc2F)nn1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OXTXQQXPEMENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-18-15(20-21(11)12-7-3-2-4-8-12)16(22)19-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(2-fluorophenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 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-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).