2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide

C4H4Br2N4O — CID 40724237

IUPAC2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C4H4Br2N4O/c5-3-8-4(6)10(9-3)1-2(7)11/h1H2,(H2,7,11)
InChIKeyATUFRJKCOQDWNI-UHFFFAOYSA-N
MW283.91 g/mol
LogP0.29
Rot. Bonds2

About 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide

2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide (PubChem CID 40724237) has the molecular formula C4H4Br2N4O and a molecular weight of 283.91 g/mol. Its IUPAC name is 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
PubChem CID40724237
Molecular FormulaC4H4Br2N4O
Molecular Weight283.91 g/mol
Exact Mass281.88
IUPAC Name2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C4H4Br2N4O/c5-3-8-4(6)10(9-3)1-2(7)11/h1H2,(H2,7,11)
InChIKeyATUFRJKCOQDWNI-UHFFFAOYSA-N
XLogP0.29
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.91
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide (CID 40724237) is 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide is NC(=O)Cn1nc(Br)nc1Br.
What is the InChIKey of 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is ATUFRJKCOQDWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N4O/c5-3-8-4(6)10(9-3)1-2(7)11/h1H2,(H2,7,11).
What are the key properties of 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 283.91 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 40724237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).