Mol Weight - 116.148
Smiles - Nc1n[nH]c(S)n1
| Property Name | Property Value |
| Mol Name | 3-Amino-5-Mercapto-1,2,4-Triazole |
| Molweight | 116.148 |
| Monoisotopic Mass | 116.015666 |
| Clogp | -0.6952 |
| Clogs | -1.788 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 84.73 |
| Relative Psa | 0.87112 |
| Polar Surface Area | 106.39 |
| Druglikeness | -1.123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Complexity | 0.7993 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 3 |
| Basic Nitrogens | 1 |
| Smiles | Nc1n[nH]c(S)n1 |
| InChIKey | InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7) |
| InChI | WZUUZPAYWFIBDF-UHFFFAOYSA-N |
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1 — 3-Amino-5-Mercapto-1,2,4-Triazole | 2 — 3-Amino-5-Mercapto-1,2,4-Triazole