2-(Phenylcarbamoyl)hexahydropyridazine-3-carboxylic acid
Basic information
- CAS
62222-00-8- Standard SMILES
O=C(O)C1CCCNN1C(=O)Nc1ccccc1- InChIKey
RHMKVAUIGIHTEY-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 2-(Phenylcarbamoyl)hexahydropyridazine-3-carboxylic acid
- IUPAC
- 2-(phenylcarbamoyl)diazinane-3-carboxylic acid
Names & synonyms
2-(Phenylcarbamoyl)hexahydropyridazine-3-carboxylic acid62222-00-8DTXSID704876273-Pyridazinecarboxylic acid, hexahydro-2-[(phenylamino)carbonyl]-2-(PHENYLCARBAMOYL)-1,2-DIAZINANE-3-CARBOXYLIC ACID
Database identifiers
- CAS
62222-00-8- PubChem CID
- 12316331
- DTXSID
DTXSID70487627
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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