Basic information
- CAS
87539-93-3- Standard SMILES
c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1- InChIKey
BGZRYVWWMJHNHC-UHFFFAOYSA-N- Molecular formula
- C22H17N5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14839556
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-
- IUPAC
- N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Names & synonyms
BRN 643675187539-93-31,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-3-Phenyl-N-(phenylmethyl)-1,2,4-triazolo(3,4-a)phthalazin-6-amineDTXSID00236387RefChem:215103DTXCID00158878CHEMBL273680BDBM50018840N-Benzyl-3-phenyl[1,2,4]triazolo[3,4-a]phthalazin-6-amineBenzyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine
Database identifiers
- CAS
87539-93-3- PubChem CID
- 3071192
- DTXSID
DTXSID00236387- ChEMBL
CHEMBL273680- Nikkaji
- J2.163.851J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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