1(2H)-Phthalazinone, 8-amino-2-benzyl-4-methyl-
Basic information
- CAS
16676-84-9- Standard SMILES
Cc1nn(Cc2ccccc2)c(=O)c2c(N)cccc12- InChIKey
POEOHNFBBCWHFQ-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- 1(2H)-Phthalazinone, 8-amino-2-benzyl-4-methyl-
- IUPAC
- 8-amino-2-benzyl-4-methylphthalazin-1-one
Names & synonyms
BRN 15866511(2H)-Phthalazinone, 8-amino-2-benzyl-4-methyl-16676-84-98-Amino-2-benzyl-4-methyl-1(2H)-phthalazinoneDTXSID101681805-25-15-00123 (Beilstein Handbook Reference)RefChem:211616DTXCID00906718-Amino-2-benzyl-4-methylphthalazin-1(2H)-one
Database identifiers
- CAS
16676-84-9- PubChem CID
- 204615
- DTXSID
DTXSID10168180
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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