Basic information
- CAS
58044-00-1- Standard SMILES
O=c1c(-c2nn[nH]n2)c[nH]c2ccccc12- InChIKey
BIMDWYPWZNTWLE-UHFFFAOYSA-N- Molecular formula
- C10H7N5O
- Average molar mass
- 213.2 g/mol
- Monoisotopic mass
- 213.06505986
Names & identifiers
- Preferred name
- 3-(1,2-Dihydro-5H-tetrazol-5-ylidene)quinolin-4(3H)-one
- IUPAC
- 3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
Names & synonyms
58044-00-1CHEMBL3304057SCHEMBL10620470DTXSID907059313-(1,2-Dihydro-5H-tetrazol-5-ylidene)quinolin-4(3H)-one
Database identifiers
- CAS
58044-00-1- PubChem CID
- 135802403
- DTXSID
DTXSID90705931- ChEMBL
CHEMBL3304057
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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