Basic information
- CAS
64377-66-8- Standard SMILES
COc1ccc2c(c1)NC(=O)Cn1nnnc1-2- InChIKey
LXXQSVDLQRQCJQ-UHFFFAOYSA-N- Molecular formula
- C10H9N5O2
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.07562455
Names & identifiers
- Preferred name
- 9-Methoxy-3,5-dihydrotetrazolo[1,5-d][1,4]benzodiazepin-6-one
- IUPAC
- 9-methoxy-5,7-dihydrotetrazolo[1,5-d][1,4]benzodiazepin-6-one
Names & synonyms
64377-66-89-methoxy-3,5-dihydrotetrazolo[1,5-d][1,4]benzodiazepin-6-oneNSC296332DTXSID40418569NSC-2963329-Methoxy-3H-tetrazolo[1,5-d][1,4]benzodiazepin-6(5H)-one
Database identifiers
- CAS
64377-66-8- PubChem CID
- 326151
- DTXSID
DTXSID40418569
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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