1-Ethenyl-3-methyl-1,2,4-triazole
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Basic information
- CAS
80904-17-2- Standard SMILES
C=Cn1cnc(C)n1- InChIKey
IOBPJHNRDOPHLC-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399724
Names & identifiers
- Preferred name
- 1-Ethenyl-3-methyl-1,2,4-triazole
- IUPAC
- 1-ethenyl-3-methyl-1,2,4-triazole
- English name
- 1H-1,2,4-Triazole,1-ethenyl-3-methyl-(9CI)
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
1H-1,2,4-Triazole, 1-ethenyl-3-methyl-1H-1,2,4-Triazole,1-ethenyl-3-methyl-(9CI)
Database identifiers
- CAS
80904-17-2- PubChem CID
- 13739249
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Boiling point
- 219 · 219.0±23.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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