Bbr 1513

HCID 219044

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 103602-80-8
Standard SMILES: Nc1ccc2c(c1)CCCC1CC(=O)NN=C21
InChIKey: FRTZAGJSMHUZSR-UHFFFAOYSA-N
Molecular formula: C13H15N3O
Average molar mass: 229.28 g/mol
Monoisotopic mass: 229.12151211

Names & identifiers

Preferred name: Bbr 1513
IUPAC: 13-amino-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one

Names & synonyms

BBR-1513BRN 6516027103602-80-8BBR 15133H-Benzo(6,7)cyclohepta(1,2-c)pyridazin-3-one, 2,4,4a,5,6,7-hexahydro-9-amino-, (+-)-dl-9-Amino-2,4,4a,5,6,7-hexahydro-3H-benzo(6,7)cyclohepten(1,2-c)pyridazin-3-oneRefChem:320987CHEMBL40526DTXSID009084969-Amino-4a,5,6,7-tetrahydro-4H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-ol

Database identifiers

CAS: 103602-80-8
PubChem CID: 219044
DTXSID: DTXSID00908496
ChEMBL: CHEMBL40526

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 353

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…