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

C24H20N4O2S — CID 6402917

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N4O2S/c1-30-20-14-12-19(13-15-20)25-21(29)16-31-24-26-22(17-8-4-2-5-9-17)23(27-28-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,29)
InChIKeyBYXNQHZZFSQOKB-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.95
Rot. Bonds7

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

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 6402917) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID6402917
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N4O2S/c1-30-20-14-12-19(13-15-20)25-21(29)16-31-24-26-22(17-8-4-2-5-9-17)23(27-28-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,29)
InChIKeyBYXNQHZZFSQOKB-UHFFFAOYSA-N
XLogP4.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 6402917) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BYXNQHZZFSQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-30-20-14-12-19(13-15-20)25-21(29)16-31-24-26-22(17-8-4-2-5-9-17)23(27-28-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,29).
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 428.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6402917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).