Basic information
- CAS
53945-30-5- Standard SMILES
Cn1c(=O)n2n(c1=O)C1C=CC2C2C=C(c3ccccc3)C21- InChIKey
ODRYVRQFMJDTPV-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.11642673
Names & identifiers
- Preferred name
- 5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-
- IUPAC
- 4-methyl-9-phenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Names & synonyms
53945-30-5NSC254934NSC 2549345,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-5,8-Etheno-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-DTXSID90968746RCL T188808AKOS024329749NSC-2549342-Methyl-6-phenyl-5,5a,7a,8-tetrahydro-1H-5,8-ethenocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Database identifiers
- CAS
53945-30-5- PubChem CID
- 429409
- DTXSID
DTXSID90968746
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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