Basic information
- CAS
30146-58-8- Standard SMILES
Nc1nc(CN2CCc3ccccc3C2)nc(N2CCCCC2)n1- InChIKey
XKCISFVGGLWDNY-UHFFFAOYSA-N- Molecular formula
- C18H24N6
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.20624479
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
Names & synonyms
30146-58-8Isoquinoline, 1,2,3,4-tetrahydro-2-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-AF 814-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amineBRN 07054064-[(3,4-Dihydroisoquinolin-2(1H)-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine1,2,3,4-Tetrahydro-2-((4-amino-6-piperidino-s-triazin-2-yl)methyl)isoquinolineDTXSID50184228
Database identifiers
- CAS
30146-58-8- PubChem CID
- 34835
- DTXSID
DTXSID50184228
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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