Basic information
- CAS
500270-15-5- Standard SMILES
Oc1cccc(/C=N/Nc2nn3cnnc3c3ccccc23)c1- InChIKey
WUVOBSZNHZDHIR-RQZCQDPDSA-N- Molecular formula
- C16H12N6O
- Average molar mass
- 304.31 g/mol
- Monoisotopic mass
- 304.10725903
Names & identifiers
- Preferred name
- (E)-3-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
- IUPAC
- 3-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
Names & synonyms
500270-15-5(E)-3-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol3-[(E)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol3-[(1E)-(2-{[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-6-YL}HYDRAZIN-1-YLIDENE)METHYL]PHENOLF1219-0368MLS000777980m-[(E)-carbohydrazonoyl]phenolCHEMBL3198235DTXSID201333402SMSSF-0064374STL038021AKOS003819830
Show more names
AKOS005691432SMR000414374SR-01000010849SR-01000010849-13-([1,2,4]Triazolo[3,4-a]phthalazin-6-yl-hydrazonomethyl)-phenol3-{(E)-[(2Z)-[1,2,4]triazolo[3,4-a]phthalazin-6(5H)-ylidenehydrazinylidene]methyl}phenol3-{(E)-[2-([1,2,4]Triazolo[3,4-a]phthalazin-6-yl)hydrazinylidene]methyl}phenol
Database identifiers
- CAS
500270-15-5- PubChem CID
- 6868331
- DTXSID
DTXSID201333402- ChEMBL
CHEMBL3198235
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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