Basic information
- CAS
68289-14-5- Standard SMILES
CN(C)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(C)C)cc2)cc1- InChIKey
FBZHCUQUPMUOCR-UHFFFAOYSA-N- Molecular formula
- C20H23N5O
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.19026037
Overview
Metrazifone is a small molecule drug. Metrazifone has a monoisotopic molecular weight of 349.19 Da.
Names & identifiers
- Preferred name
- Metrazifone
- IUPAC
- 5,6-bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
- English name
- Metrazifone
- Molecular formula
- C20H23N5O
- Molecular weight
- 349.43
Names & synonyms
Metrazifone68289-14-5MetrazifonumMetrazifonaMetrazifone [INN]Metrazifonum [INN-Latin]Metrazifona [INN-Spanish]UNII-1N1RL0G53PST 729BRN 05640041N1RL0G53P5,6-Bis(p-(dimethylamino)phenyl)-2-methyl-as-triazin-3(2H)-one
Show more names
ST729ST-7295,6-Bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3(2H)-one1,2,4-Triazin-3(2H)-one, 5,6-bis[4-(dimethylamino)phenyl]-2-methyl-
2-Methyl-3-oxo-5,6-di(paradimethylaminophenyl) as triazineDTXSID302184345-26-10-00140 (Beilstein Handbook Reference)as-Triazin-3(2H)-one, 5,6-bis(p-(dimethylamino)phenyl)-2-methyl-Metrazifonum (INN-Latin)Metrazifona (INN-Spanish)RefChem:158401DTXCID50140925
Database identifiers
- CAS
68289-14-5- PubChem CID
- 68877
- DTXSID
DTXSID30218434- ChEMBL
CHEMBL2105267- UNII
- 1N1RL0G53P
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 497.1 · 497.1±55.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.24(Predicted)
- FDA UNII
- 1 N1RL0G53P · 1N1RL0G53P
Chemistry & industry
Suppliers2 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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