2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

C17H14N4OS — CID 2816402

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4OS/c18-14(22)11-23-17-19-15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,22)
InChIKeyOVUWIVDIMTZZPB-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.78
Rot. Bonds5

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 2816402) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID2816402
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4OS/c18-14(22)11-23-17-19-15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,22)
InChIKeyOVUWIVDIMTZZPB-UHFFFAOYSA-N
XLogP2.78
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]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 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 2816402) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is OVUWIVDIMTZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-14(22)11-23-17-19-15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,22).
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2816402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).