Basic information
- CAS
121845-46-3- Standard SMILES
CCCCCCCCCCCCCCCCCc1nnc2ccncc2n1- InChIKey
ULGZKTOSEWFLNK-UHFFFAOYSA-N- Molecular formula
- C23H38N4
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.30964723
Names & identifiers
- Preferred name
- Pyrido(3,4-e)-1,2,4-triazine, 3-heptadecyl-
- IUPAC
- 3-heptadecylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-46-33-heptadecylpyrido[3,4-e][1,2,4]triazinePyrido(3,4-e)-1,2,4-triazine, 3-heptadecyl-Pyrido[3,4-e]-1,2,4-triazine, 3-heptadecyl-CHEMBL81440DTXSID00153383
Database identifiers
- CAS
121845-46-3- PubChem CID
- 516593
- DTXSID
DTXSID00153383- ChEMBL
CHEMBL81440- Nikkaji
- J239.902D
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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