Basic information
- CAS
81215-81-8- Standard SMILES
CN1CCN(CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1- InChIKey
HVAVMBNEEOXCRG-UHFFFAOYSA-N- Molecular formula
- C20H29N5O2
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.23212518
Names & identifiers
- Preferred name
- 3-(3-(4-Methyl-1-piperazinyl)propyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-[3-(4-methylpiperazin-1-yl)propyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-81-8NSC3403583-(3-(4-Methyl-1-piperazinyl)propyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneI4VQF37512NSC-3403583-(3-(4-Methylpiperazin-1-yl)propyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-(3-(4-Methyl-1-piperazinyl)propyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-[3-(4-Methylpiperazin-1-yl)propyl]-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC 3403583-[3-(4-methylpiperazin-1-yl)propyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneUNII-I4VQF37512DTXSID70230958
Show more names
DS-0045401H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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