2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C14H17N5O2S — CID 39757479

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nncc(=O)n1N
InChIInChI=1S/C14H17N5O2S/c1-3-10-6-4-5-9(2)13(10)17-11(20)8-22-14-18-16-7-12(21)19(14)15/h4-7H,3,8,15H2,1-2H3,(H,17,20)
InChIKeySZQJPXLATRWOOU-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.95
Rot. Bonds5

About 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 39757479) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID39757479
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nncc(=O)n1N
InChIInChI=1S/C14H17N5O2S/c1-3-10-6-4-5-9(2)13(10)17-11(20)8-22-14-18-16-7-12(21)19(14)15/h4-7H,3,8,15H2,1-2H3,(H,17,20)
InChIKeySZQJPXLATRWOOU-UHFFFAOYSA-N
XLogP0.95
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7196736
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8628515
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2636677
ethyl 3-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 39757521
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide
CID 39757476
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 39757702
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 7880509
2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 16526636
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 7876445
2-[3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide
CID 39967505
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2411931
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 6971555

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 39757479) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSc1nncc(=O)n1N.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is SZQJPXLATRWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-10-6-4-5-9(2)13(10)17-11(20)8-22-14-18-16-7-12(21)19(14)15/h4-7H,3,8,15H2,1-2H3,(H,17,20).
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 39757479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).