Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-

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Basic information

CAS: 25505-97-9
Standard SMILES: Cc1nn(C)c(=O)c2noc(C)c12
InChIKey: GWVOLGIOVUXWAJ-UHFFFAOYSA-N
Molecular formula: C8H9N3O2
Average molar mass: 179.18 g/mol
Monoisotopic mass: 179.06947654

Names & identifiers

Preferred name: Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
IUPAC: 3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Names & synonyms

25505-97-9ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 3,4,6-TRIMETHYL-BRN 11065703,4,6-Trimethylisoxazolo(3,4-d)pyridazin-7(6H)-one3,4,6-Trimetilisossazolo(3,4-d)piridazin-7-one [Italian]3,4,6-Trimetilisossazolo(3,4-d)piridazin-7-oneDTXSID001801943,4,6-Trimethylisoxazolo[3,4-d]pyridazin-7(6H)-oneRefChem:350272DTXCID101026853,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-oneMaybridge1_008771

Show more names

HMS566G153,4,6-Trimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one

Database identifiers

CAS: 25505-97-9
PubChem CID: 33024
DTXSID: DTXSID00180194
Nikkaji: J96.757B

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 277

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Compound notes

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