1,3,6,9b-Tetraazaphenalene
Basic information
- CAS
37159-99-2- Standard SMILES
C1=CC2=NC=NC3=CC=NC(=C1)N32- InChIKey
MAEGTYLEMVJXMV-UHFFFAOYSA-N- Molecular formula
- C9H6N4
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.05924621
Names & identifiers
- Preferred name
- 1,3,6,9b-Tetraazaphenalene
- IUPAC
- 2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
- English name
- 1,3,6,9b-Tetraazaphenalene
- Molecular weight
- 0
Names & synonyms
1,3,6,9b-Tetraazaphenalene37159-99-21,3,6-Triazacycl[3.3.3]azineDTXSID901906411,3,6-Triazacycl(3.3.3)azineRefChem:72371DTXCID30113132MAEGTYLEMVJXMV-UHFFFAOYSA-NSCHEMBL243479481,3,6-Triazacyclo[3.3.3]azine
Database identifiers
- CAS
37159-99-2- PubChem CID
- 142135
- DTXSID
DTXSID90190641- Nikkaji
- J141.858K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 435
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Related reactions
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Compound notes
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