Basic information
- CAS
87693-14-9- Standard SMILES
O=c1c2ccccc2ncn1-c1nn[nH]n1.[Na+]- InChIKey
PQKMDJBZJHXUHW-UHFFFAOYSA-N- Molecular formula
- C9H6N6NaO+
- Average molar mass
- 237.17 g/mol
- Monoisotopic mass
- 237.05007812
Overview
RN & structure given in first source; RN given refers to NA salt monohydrate
Names & identifiers
- Preferred name
- 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone
- IUPAC
- sodium 3-(2H-tetrazol-5-yl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 3-(1H-tetrazol-5-yl)-, sodium saltX0QQX08GQO87693-14-93-(1H-Tetrazol-5-yl)-4(3H)-quinazolinoneRefChem:92091sodium;3-(2H-tetrazol-5-yl)quinazolin-4-one3-TyqzUNII-X0QQX08GQO
Database identifiers
- CAS
87693-14-9- PubChem CID
- 63303
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…