3,3-Dimethyl-3H-indazole
Basic information
- Standard SMILES
CC1(C)N=Nc2ccccc21- InChIKey
RZULCELCPQCEAC-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- 3,3-Dimethyl-3H-indazole
- IUPAC
- 3,3-dimethylindazole
Names & synonyms
3,3-Dimethyl-3H-indazole(3H)Indazole, 3,3-dimethyl-59341-22-93,3-dimethyl-(3h)-indazole3,3-Dimethyl-3H-indazole #SCHEMBL1099790SCHEMBL1744655SCHEMBL4006653SCHEMBL15515391RZULCELCPQCEAC-UHFFFAOYSA-NDTXSID601025007NS00076603
Database identifiers
- PubChem CID
- 576372
- DTXSID
DTXSID601025007
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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