N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide

C6H8N4O2S — CID 1234931

IUPACN-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide
SMILESCC(=O)Nn1c(=S)[nH]nc(C)c1=O
InChIInChI=1S/C6H8N4O2S/c1-3-5(12)10(9-4(2)11)6(13)8-7-3/h1-2H3,(H,8,13)(H,9,11)
InChIKeyIWPGHDPCMUKESF-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.30
Rot. Bonds1

About N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide

N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide (PubChem CID 1234931) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide
PubChem CID1234931
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC NameN-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide
SMILESCC(=O)Nn1c(=S)[nH]nc(C)c1=O
InChIInChI=1S/C6H8N4O2S/c1-3-5(12)10(9-4(2)11)6(13)8-7-3/h1-2H3,(H,8,13)(H,9,11)
InChIKeyIWPGHDPCMUKESF-UHFFFAOYSA-N
XLogP-0.30
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide?
The IUPAC name of N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide (CID 1234931) is N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide.
What is the SMILES notation for N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide?
The canonical SMILES for N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide is CC(=O)Nn1c(=S)[nH]nc(C)c1=O.
What is the InChIKey of N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide?
The InChIKey is IWPGHDPCMUKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-3-5(12)10(9-4(2)11)6(13)8-7-3/h1-2H3,(H,8,13)(H,9,11).
What are the key properties of N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide?
N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide has a molecular weight of 200.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)acetamide is sourced from PubChem (CID 1234931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).