Basic information
- CAS
774563-22-3- Standard SMILES
Cc1ccc(C2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1- InChIKey
BZOFNDDXXUWKIW-UHFFFAOYSA-N- Molecular formula
- C17H15N5O
- Average molar mass
- 305.33 g/mol
- Monoisotopic mass
- 305.12766012
Names & identifiers
- Preferred name
- 3-amino-1-(4-methylphenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
- IUPAC
- 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
Names & synonyms
3-amino-1-(4-methylphenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol774563-22-33-amino-1-(p-tolyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6(4H)-oneMLS000767478CHEMBL1335720DTXSID101322193HMS2790F23STK575287AKOS002277465AKOS005499936AKOS0163081963-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
Show more names
SMR000429809ST501615962-Amino-4-p-tolyl-1,4-dihydro-1,3,4a,10-tetraaza-phenanthren-9-one3-amino-1-(4-methylphenyl)-1,4-dihydro-6H-[1,3,5]triazino[1,2-a]quinazolin-6-one3-amino-1-(4-methylphenyl)-11-hydro-1H,4H-1,3,5-triazino[3,2-a]quinazolin-6-on e
Database identifiers
- CAS
774563-22-3- PubChem CID
- 4859633
- DTXSID
DTXSID101322193- ChEMBL
CHEMBL1335720
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Experimental & physicochemical properties
Solubility3.1 [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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