Basic information
- CAS
54246-85-4- Standard SMILES
C1=NC2=C(CCc3ccccc32)C2=NCCN12- InChIKey
ZWNNERXCCSAZQK-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 12,15,17-Triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene
- IUPAC
- 12,15,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene
Names & synonyms
NSC30550054246-85-4DTXSID00316658NSC-3055001,2,4,5-Tetrahydrobenzo[h]imidazo[1,2-c]quinazoline
Database identifiers
- CAS
54246-85-4- PubChem CID
- 328065
- DTXSID
DTXSID00316658
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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