AC1NKDHX
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide
Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-bromopyridin-2-yl)acetamide|2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromopyridin-2-yl)acetamide|2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(5-bromo(2-pyri dyl))acetamide|2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-bromopyridin-2-yl)acetamide
| Molecular Formula | C13H13BrN8OS |
|---|---|
| Molecular Weight | 408.01163 g/mol |
| LogP | 1.57872 |
| Topological Polar Surface Area | 127.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.01163 |
| Monoisotopic Mass | 408.01163 |
| Heavy Atoms | 24 |
| Complexity | 859.2413 |
Chemical Identifiers
| CAS Number | 879446-09-0 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=NC=C(C=C3)Br |
Product Overview
AC1NKDHX (CAS 879446-09-0), with molecular formula C13H13BrN8OS and molecular weight 408.01163 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide.
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