Basic information
- CAS
21134-96-3- Standard SMILES
Cc1cncnn1- InChIKey
NOKGKKJGXQXNTO-UHFFFAOYSA-N- Molecular formula
- C4H5N3
- Average molar mass
- 95.1 g/mol
- Monoisotopic mass
- 95.04834717
Names & identifiers
- Preferred name
- 1,2,4-Triazine, 6-methyl-
- IUPAC
- 6-methyl-1,2,4-triazine
Names & synonyms
1,2,4-Triazine, 6-methyl-21134-96-3DTXSID70175375RefChem:215041DTXCID10978666-methyl-1,2,4-triazineSCHEMBL47217SCHEMBL1359426SCHEMBL7962540SCHEMBL30827632
Database identifiers
- CAS
21134-96-3- PubChem CID
- 140809
- DTXSID
DTXSID70175375- Nikkaji
- J434.124D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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