| CAS Number | 1016798-54-1 |
| Catalog Number | AG01AC2Q |
| Chemical Name | 5-Amino-1H-1,2,4-triazole-3-carbonitrile |
| IUPAC Name | 3-amino-1H-1,2,4-triazole-5-carbonitrile |
| InChI | InChI=1S/C3H3N5/c4-1-2-6-3(5)8-7-2/h(H3,5,6,7,8) |
| InChI Key | ABNCJPUPSBOIDL-UHFFFAOYSA-N |
| MDL Number | MFCD30090052 |
| Molecular Formula | C3H3N5 |
| Molecular Weight | 109.0894 |
| SMILES | N#CC1=NNC(N)=N1 |
| Synonyms | 5-amino-1H-1,2,4-triazole-3-carbonitrile,
1016798-54-1,
AKOS000194928,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 109.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.092g/mol |
| Monoisotopic Mass | 109.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 91.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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