Chemical Name - 1,2,4-Triazole
Mol Weight - 69.0668
Smiles - c1ncn[nH]1
InChI - NSPMIYGKQJPBQR-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
Mol Weight - 69.0668
Smiles - c1ncn[nH]1
InChI - NSPMIYGKQJPBQR-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
| Property Value | |
| Mol Name | 1,2,4-Triazole |
| Molweight | 69.0668 |
| Monoisotopic Mass | 69.032697 |
| Clogp | -0.5705 |
| Clogs | -0.566 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 60.35 |
| Relative Psa | 0.59536 |
| Polar Surface Area | 41.57 |
| Druglikeness | 1.7653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Aromatic Nitrogens | 3 |
| Smiles | c1ncn[nH]1 |
| InChIKey | InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) |
| InChI | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
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1 - 1,2,4-Triazole
2 - 1,2,4-Triazole
1 - 1,2,4-Triazole
2 - 1,2,4-Triazole
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