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

C12H10Cl2N4O2S — CID 23605423

IUPACN-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESCc1n[nH]c(=O)nc1SCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4O2S/c1-6-11(16-12(20)18-17-6)21-5-9(19)15-8-4-2-3-7(13)10(8)14/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyNLWOZZDBTQUMHQ-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.51
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (PubChem CID 23605423) has the molecular formula C12H10Cl2N4O2S and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
PubChem CID23605423
Molecular FormulaC12H10Cl2N4O2S
Molecular Weight345.21 g/mol
Exact Mass343.99
IUPAC NameN-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESCc1n[nH]c(=O)nc1SCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4O2S/c1-6-11(16-12(20)18-17-6)21-5-9(19)15-8-4-2-3-7(13)10(8)14/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyNLWOZZDBTQUMHQ-UHFFFAOYSA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]-N-phenylacetamide
CID 20899217
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457916
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 106678563
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-(2,3-dichlorophenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 55737730
N-(2,3-dichlorophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7538483
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425366
N-(2,3-dichlorophenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686249
N-(2,3-dichlorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28564153
N-(2,3-dichlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7817054

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (CID 23605423) is N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is Cc1n[nH]c(=O)nc1SCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The InChIKey is NLWOZZDBTQUMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S/c1-6-11(16-12(20)18-17-6)21-5-9(19)15-8-4-2-3-7(13)10(8)14/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide has a molecular weight of 345.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 23605423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).