Basic information
- CAS
62327-90-6- Standard SMILES
Cc1nn(-c2ccccc2)c(=O)c2cnc(N)nc12- InChIKey
YPWYIXXQUHMJJT-UHFFFAOYSA-N- Molecular formula
- C13H11N5O
- Average molar mass
- 253.26 g/mol
- Monoisotopic mass
- 253.09635999
Names & identifiers
- Preferred name
- 2-Amino-8-methyl-6-phenylpyrimido[4,5-d]pyridazin-5(6H)-one
- IUPAC
- 2-amino-8-methyl-6-phenylpyrimido[4,5-d]pyridazin-5-one
Names & synonyms
62327-90-6DTXSID404888232-Amino-8-methyl-6-phenylpyrimido[4,5-d]pyridazin-5(6H)-one
Database identifiers
- CAS
62327-90-6- PubChem CID
- 12322467
- DTXSID
DTXSID40488823
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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