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

C6H10N4O2 — CID 11008343

IUPACN-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide
SMILESCC(=O)NN1CC(C)=NNC1=O
InChIInChI=1S/C6H10N4O2/c1-4-3-10(9-5(2)11)6(12)8-7-4/h3H2,1-2H3,(H,8,12)(H,9,11)
InChIKeyNCSCAWXVGUIUEY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.56
Rot. Bonds1

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

N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide (PubChem CID 11008343) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide
PubChem CID11008343
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide
SMILESCC(=O)NN1CC(C)=NNC1=O
InChIInChI=1S/C6H10N4O2/c1-4-3-10(9-5(2)11)6(12)8-7-4/h3H2,1-2H3,(H,8,12)(H,9,11)
InChIKeyNCSCAWXVGUIUEY-UHFFFAOYSA-N
XLogP-0.56
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide?
The IUPAC name of N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide (CID 11008343) is N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide.
What is the SMILES notation for N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide?
The canonical SMILES for N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide is CC(=O)NN1CC(C)=NNC1=O.
What is the InChIKey of N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide?
The InChIKey is NCSCAWXVGUIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-3-10(9-5(2)11)6(12)8-7-4/h3H2,1-2H3,(H,8,12)(H,9,11).
What are the key properties of N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide?
N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide has a molecular weight of 170.17 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide is sourced from PubChem (CID 11008343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).