4-cyclopropylisoxazolo[3,4-d]pyridazin-7(6H)-one
Basic information
- CAS
952182-94-4- Standard SMILES
O=c1[nH]nc(C2CC2)c2conc12- InChIKey
MIAHTBIMJZUYTO-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 4-cyclopropylisoxazolo[3,4-d]pyridazin-7(6H)-one
- IUPAC
- 4-cyclopropyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 4-cyclopropylisoxazolo[3,4-d]pyridazin-7(6H)-one
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
952182-94-44-cyclopropylisoxazolo[3,4-d]pyridazin-7(6H)-one4-cyclopropyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-oneMFCD091527064-cyclopropylisoxazolo[3,4-d]pyridazin -7(6H)-one4-cyclopropyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-oneDTXSID601237840SBB089256AKOS005071518AB-07124-cyclopropyl-6H-isoxazolo[3,4-d]pyridazin-7-one4-cyclopropyl-6-hydroisoxazolo[3,4-d]pyridazin-7-one
Show more names
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 4-cyclopropyl-
4-Cyclopropyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Database identifiers
- CAS
952182-94-4- PubChem CID
- 24213751
- DTXSID
DTXSID601237840
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 210 · 210-212°
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Compound notes
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