3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-amino-

HCID 357997

Notes Reactions

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Basic information

CAS: 103422-53-3
Standard SMILES: Nc1ccc2c(c1)CC1CC(=O)NN=C21
InChIKey: RBTBTFCSOLFQCL-UHFFFAOYSA-N
Molecular formula: C11H11N3O
Average molar mass: 201.22 g/mol
Monoisotopic mass: 201.09021198

Names & identifiers

Preferred name: 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-amino-
IUPAC: 7-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

Names & synonyms

BRN 4254469103422-53-37-Amino-4,4a-dihydro-5H-indeno(1,2-c)pyridazin-3-one2,4,4a,5-Tetrahydro-7-amino-3H-indeno(1,2-c)pyridazin-3-one3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-amino-RefChem:283157NSC617678CHEMBL41338SCHEMBL10341487DTXSID60908371RBTBTFCSOLFQCL-UHFFFAOYSA-NNSC-617678

Show more names

7-Amino-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-ol7-amino-4,4a-dihydro-5H-indeno[1,2-c]-pyridazin-3-one7-amino-4,4a-dihydro-[5H]-indeno[1,2-c]pyridazin-3[2H]-one

Database identifiers

CAS: 103422-53-3
PubChem CID: 357997
DTXSID: DTXSID60908371
ChEMBL: CHEMBL41338
Nikkaji: J362.801I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 326

Related reactions

3 records

New reaction record

HRID 845058As productuspto-grants-1988_07

HRID 1215028As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2308954As productuspto-grants-1987_09

Compound notes

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