N-(6-bromo-1,2,4-triazin-3-yl)acetamide

C5H5BrN4O — CID 155191627

IUPACN-(6-bromo-1,2,4-triazin-3-yl)acetamide
SMILESCC(=O)Nc1ncc(Br)nn1
InChIInChI=1S/C5H5BrN4O/c1-3(11)8-5-7-2-4(6)9-10-5/h2H,1H3,(H,7,8,10,11)
InChIKeyBUNZYLDBGGFHIO-UHFFFAOYSA-N
MW217.03 g/mol
LogP0.59
Rot. Bonds1

About N-(6-bromo-1,2,4-triazin-3-yl)acetamide

N-(6-bromo-1,2,4-triazin-3-yl)acetamide (PubChem CID 155191627) has the molecular formula C5H5BrN4O and a molecular weight of 217.03 g/mol. Its IUPAC name is N-(6-bromo-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,2,4-triazin-3-yl)acetamide
PubChem CID155191627
Molecular FormulaC5H5BrN4O
Molecular Weight217.03 g/mol
Exact Mass215.96
IUPAC NameN-(6-bromo-1,2,4-triazin-3-yl)acetamide
SMILESCC(=O)Nc1ncc(Br)nn1
InChIInChI=1S/C5H5BrN4O/c1-3(11)8-5-7-2-4(6)9-10-5/h2H,1H3,(H,7,8,10,11)
InChIKeyBUNZYLDBGGFHIO-UHFFFAOYSA-N
XLogP0.59
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of N-(6-bromo-1,2,4-triazin-3-yl)acetamide (CID 155191627) is N-(6-bromo-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for N-(6-bromo-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for N-(6-bromo-1,2,4-triazin-3-yl)acetamide is CC(=O)Nc1ncc(Br)nn1.
What is the InChIKey of N-(6-bromo-1,2,4-triazin-3-yl)acetamide?
The InChIKey is BUNZYLDBGGFHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4O/c1-3(11)8-5-7-2-4(6)9-10-5/h2H,1H3,(H,7,8,10,11).
What are the key properties of N-(6-bromo-1,2,4-triazin-3-yl)acetamide?
N-(6-bromo-1,2,4-triazin-3-yl)acetamide has a molecular weight of 217.03 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 155191627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).