Basic information
- CAS
62258-29-1- Standard SMILES
COc1ccc(-c2nccnn2)cc1- InChIKey
XTPVNZQBAOODPO-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-1,2,4-triazine
- IUPAC
- 3-(4-methoxyphenyl)-1,2,4-triazine
Names & synonyms
3-(4-Methoxyphenyl)-1,2,4-triazine62258-29-1DTXSID90494999RefChem:274686DTXCID30445809SCHEMBL27668598AKOS001892184CCG-146609
Database identifiers
- CAS
62258-29-1- PubChem CID
- 12374488
- DTXSID
DTXSID90494999- Nikkaji
- J1.879.995B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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