6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide

C9H11BrN6O2S — CID 103341254

IUPAC6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2nc(N)nc2Br)nc1
InChIInChI=1S/C9H11BrN6O2S/c1-15(2)19(17,18)6-3-4-7(12-5-6)16-8(10)13-9(11)14-16/h3-5H,1-2H3,(H2,11,14)
InChIKeyGVBYZKSSPADZCV-UHFFFAOYSA-N
MW347.20 g/mol
LogP0.26
Rot. Bonds3

About 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide

6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341254) has the molecular formula C9H11BrN6O2S and a molecular weight of 347.20 g/mol. Its IUPAC name is 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341254
Molecular FormulaC9H11BrN6O2S
Molecular Weight347.20 g/mol
Exact Mass345.98
IUPAC Name6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2nc(N)nc2Br)nc1
InChIInChI=1S/C9H11BrN6O2S/c1-15(2)19(17,18)6-3-4-7(12-5-6)16-8(10)13-9(11)14-16/h3-5H,1-2H3,(H2,11,14)
InChIKeyGVBYZKSSPADZCV-UHFFFAOYSA-N
XLogP0.26
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-aminopyrazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341249
5-bromo-1-(4-methylsulfonylphenyl)-1,2,4-triazol-3-amine
CID 103099058
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
6-(2-amino-4-pyridinyl)-N,N-dimethylpyridine-3-sulfonamide
CID 171678680
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
CID 139226947
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341466
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)-1H-pyrimidin-6-one
CID 136827945

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide (CID 103341254) is 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(-n2nc(N)nc2Br)nc1.
What is the InChIKey of 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is GVBYZKSSPADZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6O2S/c1-15(2)19(17,18)6-3-4-7(12-5-6)16-8(10)13-9(11)14-16/h3-5H,1-2H3,(H2,11,14).
What are the key properties of 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide?
6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 347.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).