2-(5-Tetrazolyl)ethanamine - CAS 31602-64-9
Catalog: |
BB020994 |
Product Name: |
2-(5-Tetrazolyl)ethanamine |
CAS: |
31602-64-9 |
Synonyms: |
2-(2H-tetrazol-5-yl)ethanamine; 2-(2H-tetrazol-5-yl)ethanamine |
IUPAC Name: | 2-(2H-tetrazol-5-yl)ethanamine |
Description: | 2-(5-Tetrazolyl)ethanamine (CAS# 31602-64-9) is a useful research chemical. |
Molecular Weight: | 113.12 |
Molecular Formula: | C3H7N5 |
Canonical SMILES: | C(CN)C1=NNN=N1 |
InChI: | InChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8) |
InChI Key: | MZYXHLMULHPGKX-UHFFFAOYSA-N |
LogP: | -0.59880 |
Publication Number | Title | Priority Date |
WO-2021129584-A1 | Pd-l1 antagonist compound | 20191226 |
WO-2021014365-A1 | Macrocyclic compounds as sting agonists and methods and uses thereof | 20190722 |
CN-108190863-B | Preparation method of nitrogen-doped carbon nanohorn | 20180302 |
US-10597420-B2 | Derivatives of amphotericin B | 20150415 |
US-2016304548-A1 | Derivatives of Amphotericin B | 20150415 |
PMID | Publication Date | Title | Journal |
21940173 | 20111101 | Aminomethyltetrazoles as potential inhibitors of the γ-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation | Bioorganic & medicinal chemistry |
16621528 | 20060701 | Carboxylate bioisosteres of pregabalin | Bioorganic & medicinal chemistry letters |
Complexity: | 64.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.07014524 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.07014524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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