7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidine
Basic information
- CAS
69141-72-6- Standard SMILES
Cc1cc2nncn2cn1- InChIKey
OXKJOXHMEAWGNG-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Names & identifiers
- Preferred name
- 7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidine
- IUPAC
- 7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
- English name
- 7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidine
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidine69141-72-6SCHEMBL10647618DTXSID204993367-Methyl[1,2,4]triazolo[4,3-c]pyrimidine1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-
Database identifiers
- CAS
69141-72-6- PubChem CID
- 12465352
- DTXSID
DTXSID20499336
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 205 · 205-208 °C
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.66 · 0.66±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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