1H-1,2,4-triazole | SBID = 1275 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 41.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 53.1 | ||
| Sum Formula: | C2H3N3 | ||
| M / g/mol: | 69.07 | ||
| Complexity: | 28.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1H-1,2,4-triazole
- Preferred Abbreviation: 1,2,4-Triazole
- IUPAC Name: 1H-1,2,4-triazole
- CAS: 288-88-0
- CID: 9257
- InChiKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
- InChi: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
- CanoSmiles: C1=NC=NN1
- IsoSmiles: C1=NC=NN1
