6,7-Dihydrothieno[2',3':5,6]pyrido[2,3-d]pyridazine-5,8,9(4H)-trione
Basic information
- CAS
135345-43-6- Standard SMILES
O=c1[nH][nH]c(=O)c2c(=O)c3sccc3[nH]c12- InChIKey
RGYZJVTVTALEJJ-UHFFFAOYSA-N- Molecular formula
- C9H5N3O3S
- Average molar mass
- 235.22 g/mol
- Monoisotopic mass
- 235.0051622
Names & identifiers
- Preferred name
- 6,7-Dihydrothieno[2',3':5,6]pyrido[2,3-d]pyridazine-5,8,9(4H)-trione
- IUPAC
- 6-thia-2,11,12-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4-triene-8,10,13-trione
Names & synonyms
6,7-dihydrothieno[2',3':5,6]pyrido[2,3-d]pyridazine-5,8,9(4H)-trione135345-43-66,7-Dihydrothieno(2',3':5,6)pyrido(2,3-d)pyridazine-5,8,9(4H)-trioneRefChem:306167CHEMBL278733SCHEMBL6235998DTXSID901159798BDBM501257686,7-Dihydro-4H-1-thia-4,6,7-triaza-cyclopenta[b]naphthalene-5,8,9-trioneAM-944/409479076,7-Dihydrothieno[2a(2),3a(2):5,6]pyrido[2,3-d]pyridazine-5,8,9(4H)-trione
Database identifiers
- CAS
135345-43-6- PubChem CID
- 14906136
- DTXSID
DTXSID901159798- ChEMBL
CHEMBL278733
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 445
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Related reactions
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Compound notes
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