11-Methyl-11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indole
Basic information
- CAS
74409-86-2- Standard SMILES
Cn1c2ccccc2c2cnn3cnnc3c21- InChIKey
KCIRKZSZFNCFMS-UHFFFAOYSA-N- Molecular formula
- C12H9N5
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.08579531
Names & identifiers
- Preferred name
- 11-Methyl-11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indole
- IUPAC
- 16-methyl-3,4,6,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
Names & synonyms
74409-86-2NSC339349DTXSID5031907811-Methyl-11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indoleNSC-339349
Database identifiers
- CAS
74409-86-2- PubChem CID
- 334378
- DTXSID
DTXSID50319078
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
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Related reactions
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Compound notes
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