Basic information
- CAS
81215-80-7- Standard SMILES
O=C1CN(CCN2CCCCC2)CC(=O)N2Cc3ccccc3CN12- InChIKey
YHILIFSWFBZPBA-UHFFFAOYSA-N- Molecular formula
- C19H26N4O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.20557608
Names & identifiers
- Preferred name
- 3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-80-7NSC3403571NW0N1V3IO3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneNSC-3403573-(2-(Piperidin-1-yl)ethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-(2-Piperidin-1-ylethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-[2-(Piperidin-1-yl)ethyl]-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC 340357UNII-1NW0N1V3IODTXSID102309571H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(2-(1-PIPERIDINYL)ETHYL)-
Show more names
3-[2-(1-piperidyl)ethyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Database identifiers
- CAS
81215-80-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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