3-(2-(Diethylamino)ethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione

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Basic information

CAS: 81215-76-1
Standard SMILES: CCN(CC)CCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1
InChIKey: SJCULHUSAZAQGA-UHFFFAOYSA-N
Molecular formula: C18H26N4O2
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.20557608

Names & identifiers

Preferred name: 3-(2-(Diethylamino)ethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
IUPAC: 3-[2-(diethylamino)ethyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione

Names & synonyms

81215-76-1NSC3403543-(2-(Diethylamino)ethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dionePX29SF588P3-(2-(Diethylamino)ethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC-3403543-(2-(DIETHYLAMINO)ETHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE3-[2-(Diethylamino)ethyl]-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC 340354UNII-PX29SF588PDTXSID302309543-(2-diethylaminoethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione

Show more names

DS-0045021H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3-(2-(DIETHYLAMINO)ETHYL)-3,4,7,12-TETRAHYDRO-

Database identifiers

CAS: 81215-76-1
PubChem CID: 334649
DTXSID: DTXSID30230954
UNII: PX29SF588P

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 47.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 432

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Compound notes

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