Basic information
- CAS
69466-75-7- Standard SMILES
COc1nncc(C23CC4CC(CC(C4)C2)C3)n1- InChIKey
SAMMJDJYLVYPGT-UHFFFAOYSA-N- Molecular formula
- C14H19N3O
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.15281224
Names & identifiers
- Preferred name
- as-Triazine, 5-(1-adamantyl)-3-methoxy-
- IUPAC
- 5-(1-adamantyl)-3-methoxy-1,2,4-triazine
Names & synonyms
as-Triazine, 5-(1-adamantyl)-3-methoxy-69466-75-7BRN 06677575-(1-Adamantyl)-3-methoxy-as-triazineSCHEMBL11334038DTXSID202196571,2,4-Triazine, 3-methoxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-5-(Adamantan-1-yl)-3-methoxy-1,2,4-triazine
Database identifiers
- CAS
69466-75-7- PubChem CID
- 64481
- DTXSID
DTXSID20219657- Nikkaji
- J90.927K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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