N-(2-Aminoethyl)-4H-1,2,4-triazole-3-carboxamide - CAS 817172-34-2
Catalog: |
BB052779 |
Product Name: |
N-(2-Aminoethyl)-4H-1,2,4-triazole-3-carboxamide |
CAS: |
817172-34-2 |
Synonyms: |
N-(2-aminoethyl)-1H-1,2,4-triazole-3-carboxamide; 1H-[1,2,4]Triazole-3-carboxylic acid (2-amino-ethyl)-amide; 1h-[1,2,4]triazole-3-carboxylic acid (2-aminoethyl)amide |
IUPAC Name: | N-(2-aminoethyl)-1H-1,2,4-triazole-5-carboxamide |
Molecular Weight: | 155.16 |
Molecular Formula: | C5H9N5O |
Canonical SMILES: | C1=NNC(=N1)C(=O)NCCN |
InChI: | InChI=1S/C5H9N5O/c6-1-2-7-5(11)4-8-3-9-10-4/h3H,1-2,6H2,(H,7,11)(H,8,9,10) |
InChI Key: | VHQCYDFPLQULCB-UHFFFAOYSA-N |
Complexity: | 139 |
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: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.08070993 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 96.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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