1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-methyl-3-phenyl-
Basic information
- CAS
87539-90-0- Standard SMILES
CNc1nn2c(-c3ccccc3)nnc2c2ccccc12- InChIKey
GLRABDXTKZYASM-UHFFFAOYSA-N- Molecular formula
- C16H13N5
- Average molar mass
- 275.31 g/mol
- Monoisotopic mass
- 275.11709544
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-methyl-3-phenyl-
- IUPAC
- N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Names & synonyms
BRN 64204391,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-methyl-3-phenyl-87539-90-0N-Methyl-3-phenyl-1,2,4-triazolo(3,4-a)phthalazin-6-amineDTXSID20236384RefChem:215122DTXCID20158875CHEMBL274600N-Methyl-3-phenyl[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Database identifiers
- CAS
87539-90-0- PubChem CID
- 3071189
- DTXSID
DTXSID20236384- ChEMBL
CHEMBL274600
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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