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

C11H8Cl2N4O2S — CID 135425366

IUPACN-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N4O2S/c12-6-2-1-3-7(10(6)13)15-9(19)5-20-11-16-8(18)4-14-17-11/h1-4H,5H2,(H,15,19)(H,16,17,18)
InChIKeyINAGIOXVYPVTSY-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.20
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135425366) has the molecular formula C11H8Cl2N4O2S and a molecular weight of 331.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135425366
Molecular FormulaC11H8Cl2N4O2S
Molecular Weight331.18 g/mol
Exact Mass329.97
IUPAC NameN-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N4O2S/c12-6-2-1-3-7(10(6)13)15-9(19)5-20-11-16-8(18)4-14-17-11/h1-4H,5H2,(H,15,19)(H,16,17,18)
InChIKeyINAGIOXVYPVTSY-UHFFFAOYSA-N
XLogP2.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135552212
2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
CID 135996863
N-(2,3-dichlorophenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686249
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-[(4-chlorophenyl)methyl]-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135888164
N-(4-acetylphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425382
N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135445462
N-(3-methylbutyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135634815
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
CID 23605423
2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 135784426
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 106678563

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135425366) is N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is O=C(CSc1nncc(=O)[nH]1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is INAGIOXVYPVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2S/c12-6-2-1-3-7(10(6)13)15-9(19)5-20-11-16-8(18)4-14-17-11/h1-4H,5H2,(H,15,19)(H,16,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 331.18 g/mol, XLogP of 2.20, 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-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135425366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).