3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
Basic information
- CAS
28228-87-7- Standard SMILES
C1CCc2c(-c3n[nH]c4c3CCCC4)n[nH]c2C1- InChIKey
KUNKLRHXFRKHCU-UHFFFAOYSA-N- Molecular formula
- C14H18N4
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.15314659
Names & identifiers
- Preferred name
- 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
- IUPAC
- 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
Names & synonyms
28228-87-7NSC3718503-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-4,5,6,7-tetrahydro-1H-indazoleDTXSID40321206NSC-3718504,4',5,5',6,6',7,7'-Octahydro-1H,1'H-3,3'-biindazole
Database identifiers
- CAS
28228-87-7- PubChem CID
- 340769
- DTXSID
DTXSID40321206
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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