Basic information
- CAS
81215-72-7- Standard SMILES
COCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1- InChIKey
YOUCJMWRMRLNEH-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Names & identifiers
- Preferred name
- 3-(2-Methoxy-ethyl)-2,3,4,5,7,12-hexahydro-1H-(1,2,5)triazepino(1,2-b)phthalazin-1,5-dione
- IUPAC
- 3-(2-methoxyethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
- English name
- 3-(2-methoxy-ethyl)-2,3,4,5,7,12-hexahydro-1H-(1,2,5)triazepino(1,2-b)phthalazin-1,5-dione
- Molecular weight
- 0
Names & synonyms
Mehtpd81215-72-73,4,7,12-Tetrahydro-3-(2-methoxyethyl)-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione3-(2-Methoxy-ethyl)-2,3,4,5,7,12-hexahydro-1H-(1,2,5)triazepino(1,2-b)phthalazin-1,5-dioneNSC-34034828957BE992DTXSID902309501H-(1,2,5)Triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3,4,7,12-tetrahydro-3-(2-methoxyethyl)-RefChem:92220DTXCID20153441NSC3403483-(2-Methoxyethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione
Show more names
NSC 3403483-(2-methoxyethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneUNII-28957BE992
Database identifiers
- CAS
81215-72-7- PubChem CID
- 100663
- DTXSID
DTXSID90230950
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- FDA UNII
- 28957 BE992 · 28957BE992
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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