3-Amino-N-methyl-1H-1,2,4-triazole-1-acetamide - CAS 1182757-96-5
Catalog: |
BB075329 |
Product Name: |
3-Amino-N-methyl-1H-1,2,4-triazole-1-acetamide |
CAS: |
1182757-96-5 |
Synonyms: |
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide |
IUPAC Name: | 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide |
Molecular Weight: | 155.2 |
Molecular Formula: | C5H9N5O |
Canonical SMILES: | CNC(=O)CN1C=NC(=N1)N |
InChI: | InChI=1S/C5H9N5O/c1-7-4(11)2-10-3-8-5(6)9-10/h3H,2H2,1H3,(H2,6,9)(H,7,11) |
InChI Key: | SFTQAHBRUGJKHE-UHFFFAOYSA-N |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.08070993 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.08070993 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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