Basic information
- CAS
121845-73-6- Standard SMILES
Cc1nccc2nncnc12- InChIKey
PTOLTJFHLFAGNX-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924621
Names & identifiers
- Preferred name
- 5-Methylpyrido[3,4-e][1,2,4]triazine
- IUPAC
- 5-methylpyrido[3,4-e][1,2,4]triazine
- English name
- Pyrido[3,4-e]-1,2,4-triazine, 5-methyl- (9CI)
- Molecular formula
- C7H6N4
- Molecular weight
- 146.15
Names & synonyms
5-methylpyrido[3,4-e][1,2,4]triazine121845-73-65-Methyl-pyrido(3,4-e)(1,2,4)triazine5-Methyl-pyrido[3,4-e][1,2,4]triazinePyrido[3,4-e]-1,2,4-triazine, 5-methyl- (9CI)CHEMBL315746DTXSID20153406Pyrido[3,4-e]-1,2,4-triazine, 5-methyl-
Database identifiers
- CAS
121845-73-6- PubChem CID
- 516623
- DTXSID
DTXSID20153406- ChEMBL
CHEMBL315746- Nikkaji
- J239.885K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 275.5 · 275.5±13.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.30(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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