N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

C23H17FN4O2 — CID 177373844

IUPACN-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H17FN4O2/c24-18-11-13-19(14-12-18)25-20(29)15-28-23(30)26-21(16-7-3-1-4-8-16)22(27-28)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)
InChIKeySDIIOKMAQAQRQY-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.75
Rot. Bonds5

About N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373844) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373844
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC NameN-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H17FN4O2/c24-18-11-13-19(14-12-18)25-20(29)15-28-23(30)26-21(16-7-3-1-4-8-16)22(27-28)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)
InChIKeySDIIOKMAQAQRQY-UHFFFAOYSA-N
XLogP3.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide 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-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373844) is N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is SDIIOKMAQAQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c24-18-11-13-19(14-12-18)25-20(29)15-28-23(30)26-21(16-7-3-1-4-8-16)22(27-28)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 400.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).