Basic information
- CAS
342429-07-6- Standard SMILES
CC(=O)c1c2ccccc2c2n(C)nnn12- InChIKey
XIUCDDCHEXXWHT-UHFFFAOYSA-N- Molecular formula
- C11H10N4O
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.08546096
Names & identifiers
- Preferred name
- 1-(1-Methyl-1H-tetrazolo[5,1-a]isoindol-5-yl)ethan-1-one
- IUPAC
- 1-(1-methyltetrazolo[5,1-a]isoindol-5-yl)ethanone
Names & synonyms
342429-07-61-(1-Methyl-1H-tetrazolo[5,1-a]isoindol-5-yl)ethan-1-one1-(1-methyltetrazolo[5,1-a]isoindol-5-yl)ethanoneDTXSID10495302
Database identifiers
- CAS
342429-07-6- PubChem CID
- 12378816
- DTXSID
DTXSID10495302- Nikkaji
- J1.994.001B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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