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

C8H12Br2N4O — CID 90370546

IUPACN-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C8H12Br2N4O/c1-8(2,3)12-5(15)4-14-7(10)11-6(9)13-14/h4H2,1-3H3,(H,12,15)
InChIKeyNIDMLTCLIORUFJ-UHFFFAOYSA-N
MW340.02 g/mol
LogP1.72
Rot. Bonds2

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

N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide (PubChem CID 90370546) has the molecular formula C8H12Br2N4O and a molecular weight of 340.02 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
PubChem CID90370546
Molecular FormulaC8H12Br2N4O
Molecular Weight340.02 g/mol
Exact Mass337.94
IUPAC NameN-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C8H12Br2N4O/c1-8(2,3)12-5(15)4-14-7(10)11-6(9)13-14/h4H2,1-3H3,(H,12,15)
InChIKeyNIDMLTCLIORUFJ-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide (CID 90370546) is N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide is CC(C)(C)NC(=O)Cn1nc(Br)nc1Br.
What is the InChIKey of N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is NIDMLTCLIORUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N4O/c1-8(2,3)12-5(15)4-14-7(10)11-6(9)13-14/h4H2,1-3H3,(H,12,15).
What are the key properties of N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide?
N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 340.02 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 90370546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).