Basic information
- CAS
60097-07-6- Standard SMILES
c1cc(-c2nnc3ccncc3n2)ccn1- InChIKey
VBKAZKVWMFYDPU-UHFFFAOYSA-N- Molecular formula
- C11H7N5
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.07014524
Names & identifiers
- Preferred name
- 3-Pyridin-4-yl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
60097-07-63-Pyridin-4-yl-pyrido(3,4-e)(1,2,4)triazine3-Pyridin-4-yl-pyrido[3,4-e][1,2,4]triazineCHEMBL312044DTXSID702088393-(4-pyridyl)pyrido[3,4-e][1,2,4]triazine3-(Pyridin-4-yl)pyrido[3,4-e][1,2,4]triazine
Database identifiers
- CAS
60097-07-6- PubChem CID
- 516617
- DTXSID
DTXSID70208839- ChEMBL
CHEMBL312044- Nikkaji
- J239.926A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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