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

C15H16N4O2S — CID 135889595

IUPACN-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)NC3CC3)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O2S/c1-9-2-4-10(5-3-9)13-14(21)17-15(19-18-13)22-8-12(20)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyWPZKZHPJCNGPMP-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.51
Rot. Bonds5

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

N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide (PubChem CID 135889595) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
PubChem CID135889595
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)NC3CC3)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O2S/c1-9-2-4-10(5-3-9)13-14(21)17-15(19-18-13)22-8-12(20)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyWPZKZHPJCNGPMP-UHFFFAOYSA-N
XLogP1.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135877276
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323
N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135877278
N-(2-methoxy-4-methylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135996870
2-[[6-(4-hydroxyphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 135777311
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 6407540
3-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid
CID 136923244
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
N-(4-fluorophenyl)-2-[[6-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135889610
N-(2-acetylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 136687745
2-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 135901487
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide (CID 135889595) is N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide is Cc1ccc(-c2nnc(SCC(=O)NC3CC3)[nH]c2=O)cc1.
What is the InChIKey of N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The InChIKey is WPZKZHPJCNGPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-2-4-10(5-3-9)13-14(21)17-15(19-18-13)22-8-12(20)16-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 135889595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).