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

C6H7Br2N5O2 — CID 71984568

IUPAC2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C6H7Br2N5O2/c1-9-6(15)10-3(14)2-13-5(8)11-4(7)12-13/h2H2,1H3,(H2,9,10,14,15)
InChIKeyWAGCHOHFNRLHDT-UHFFFAOYSA-N
MW340.96 g/mol
LogP0.26
Rot. Bonds2

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

2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide (PubChem CID 71984568) has the molecular formula C6H7Br2N5O2 and a molecular weight of 340.96 g/mol. Its IUPAC name is 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide
PubChem CID71984568
Molecular FormulaC6H7Br2N5O2
Molecular Weight340.96 g/mol
Exact Mass338.90
IUPAC Name2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C6H7Br2N5O2/c1-9-6(15)10-3(14)2-13-5(8)11-4(7)12-13/h2H2,1H3,(H2,9,10,14,15)
InChIKeyWAGCHOHFNRLHDT-UHFFFAOYSA-N
XLogP0.26
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.96
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide (CID 71984568) is 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)Cn1nc(Br)nc1Br.
What is the InChIKey of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide?
The InChIKey is WAGCHOHFNRLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N5O2/c1-9-6(15)10-3(14)2-13-5(8)11-4(7)12-13/h2H2,1H3,(H2,9,10,14,15).
What are the key properties of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide?
2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide has a molecular weight of 340.96 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 71984568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).