Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate - CAS 86152-46-7
Catalog: |
BB053026 |
Product Name: |
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate |
CAS: |
86152-46-7 |
Synonyms: |
ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate |
IUPAC Name: | ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate |
Molecular Weight: | 170.17 |
Molecular Formula: | C6H10N4O2 |
Canonical SMILES: | CCOC(=O)CC1=NC(=NN1)N |
InChI: | InChI=1S/C6H10N4O2/c1-2-12-5(11)3-4-8-6(7)10-9-4/h2-3H2,1H3,(H3,7,8,9,10) |
InChI Key: | NWORJPBMFMZKAQ-UHFFFAOYSA-N |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.08037557 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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