Basic information
- CAS
1253654-81-7- Standard SMILES
c1cnc2c(c1)CC1CNCC21- InChIKey
LVQAWMPOCTXBPF-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- 4,12-Diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
- IUPAC
- 4,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
Names & synonyms
1253654-81-7DTXSID3011567725,5a,6,7,8,8a-Hexahydropyrrolo[3',4':4,5]cyclopenta[1,2-b]pyridinePyrrolo[3a(2),4a(2):4,5]cyclopenta[1,2-b]pyridine, 5,5a,6,7,8,8a-hexahydro-
Database identifiers
- CAS
1253654-81-7- PubChem CID
- 71302002
- DTXSID
DTXSID301156772
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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