2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide

C15H18N4OS — CID 652194

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCc1nnc(SCC(=O)Nc2ccccc2)nc1CC
InChIInChI=1S/C15H18N4OS/c1-3-12-13(4-2)18-19-15(17-12)21-10-14(20)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,20)
InChIKeyIGJNTIZKIRCMSJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.73
Rot. Bonds6

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 652194) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID652194
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCc1nnc(SCC(=O)Nc2ccccc2)nc1CC
InChIInChI=1S/C15H18N4OS/c1-3-12-13(4-2)18-19-15(17-12)21-10-14(20)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,20)
InChIKeyIGJNTIZKIRCMSJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 5161833
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 6403033
N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6401479
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
CID 6408758
N-(4-fluorophenyl)-N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}amine
CID 6409772
N-(4-fluorophenyl)-N-{2-[6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-yl]vinyl}amine
CID 6413405
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 6414945
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 1252265
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2587309
2-(5,6-Dimethyl-[1,2,4]triazin-3-ylsulfanyl)-N-m-tolyl-acetamide
CID 6401520
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(3-methylphenyl)acetamide
CID 6402831
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 6402919

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide (CID 652194) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide is CCc1nnc(SCC(=O)Nc2ccccc2)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is IGJNTIZKIRCMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-12-13(4-2)18-19-15(17-12)21-10-14(20)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,20).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 652194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).