Basic information
- CAS
87693-08-1- Standard SMILES
O=c1c2ccccc2ncn1-c1nn[nH]n1- InChIKey
GPEZBOYWAXXHJE-UHFFFAOYSA-N- Molecular formula
- C9H6N6O
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.06030884
Names & identifiers
- Preferred name
- 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
- IUPAC
- 3-(2H-tetrazol-5-yl)quinazolin-4-one
Names & synonyms
MDL-427 free acidMDL-427 free moietyPFT69E0XBYUNII-PFT69E0XBY3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(2H-tetrazol-5-yl)-87693-08-1RefChem:198182CHEMBL309496SCHEMBL9643802SCHEMBL30365693GPEZBOYWAXXHJE-UHFFFAOYSA-N
Show more names
3-(1H-tetrazol-5-yl)4(3H)-quinazolinone3-(1h-tetrazol-5-yl)-4 (3h)-quinazo-linone
Database identifiers
- CAS
87693-08-1- PubChem CID
- 63304
- ChEMBL
CHEMBL309496- UNII
- PFT69E0XBY
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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