Basic information
- CAS
30146-72-6- Standard SMILES
Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCc3ccccc3C2)n1- InChIKey
RICSVCCWQXYHPI-UHFFFAOYSA-N- Molecular formula
- C23H27N7
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.23279389
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)-
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)-30146-72-6AF 78BRN 07276661,2,3,4-Tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)isoquinolineDTXSID801842364-(3,4-Dihydroisoquinolin-2(1H)-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Database identifiers
- CAS
30146-72-6- PubChem CID
- 34840
- DTXSID
DTXSID80184236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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