benzyl 3-oxo-4,4a,6,7-tetrahydro-2H-pyrrolo[3,2-c]pyridazine-5(3H)-carboxylate
Basic information
- CAS
1254360-84-3- Standard SMILES
O=C1CC2C(=NN1)CCN2C(=O)OCc1ccccc1- InChIKey
GXKXHSXCLRPCMP-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- benzyl 3-oxo-4,4a,6,7-tetrahydro-2H-pyrrolo[3,2-c]pyridazine-5(3H)-carboxylate
- IUPAC
- benzyl 3-oxo-4,4a,6,7-tetrahydro-2H-pyrrolo[3,2-c]pyridazine-5-carboxylate
Names & synonyms
1254360-84-3SCHEMBL287648GXKXHSXCLRPCMP-UHFFFAOYSA-NDTXSID901116176DB-186898Benzyl 2,3,4,4a,6,7-hexahydro-3-oxopyrrolo[3,2-c]pyridazine-5-carboxylateBenzyl 3-oxo-2,3,4,4a,6,7-hexahydro-5H-pyrrolo[3,2-c]pyridazine-5-carboxylatebenzyl 3-oxo-4,4a,6,7-tetrahydro-2H-pyrrolo[3,2-c]pyridazine-5(3H)-carboxylate5H-Pyrrolo[3,2-c]pyridazine-5-carboxylic acid, 2,3,4,4a,6,7-hexahydro-3-oxo-, phenylmethyl ester
Database identifiers
- CAS
1254360-84-3- PubChem CID
- 66644331
- DTXSID
DTXSID901116176
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…