Basic information
- CAS
30146-71-5- Standard SMILES
CN1CCN(Cc2nc(N)nc(N3CCc4ccccc4C3)n2)CC1- InChIKey
RMIMTXLHUVHRKQ-UHFFFAOYSA-N- Molecular formula
- C18H25N7
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.21714383
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-methyl-1-piperazinyl)methyl)-s-triazin-2-yl)-
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Names & synonyms
30146-71-5Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-methyl-1-piperazinyl)methyl)-s-triazin-2-yl)-AF 774-(3,4-Dihydroisoquinolin-2(1H)-yl)-6-((4-methylpiperazin-1-yl)methyl)-1,3,5-triazin-2-amineBRN 07682494-(3,4-Dihydroisoquinolin-2(1H)-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine1,2,3,4-Tetrahydro-2-(4-amino-6-((4-methyl-1-piperazinyl)methyl)-s-triazin-2-yl)isoquinolineDTXSID20184235
Database identifiers
- CAS
30146-71-5- PubChem CID
- 34839
- DTXSID
DTXSID20184235
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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