Basic information
- Standard SMILES
N#CC1=C(N)N2CCCCC2=C(C#N)C1c1ccc2[nH]ncc2c1- InChIKey
BTPCDSUEXXSAAV-UHFFFAOYSA-N- Molecular formula
- C18H16N6
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.14364454
Names & identifiers
- Preferred name
- 4-amino-6,7,8,9-tetrahydro-2-(1H-indazol-5-yl)-2H-quinolizine-1,3-dicarbonitrile
- IUPAC
- 4-amino-2-(1H-indazol-5-yl)-6,7,8,9-tetrahydro-2H-quinolizine-1,3-dicarbonitrile
Names & synonyms
SCHEMBL4437443BTPCDSUEXXSAAV-UHFFFAOYSA-N4-amino-6,7,8,9-tetrahydro-2-(1H-indazol-5-yl)-2H-quinolizine-1,3-dicarbonitrile
Database identifiers
- PubChem CID
- 69044019
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 702
Related reactions
1 records
Compound notes
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