3-(3-Hydroxy-3-methylbutylamino)-5-methyl-as-triazino(5,6-b)indole
Basic information
- CAS
20154-25-0- Standard SMILES
Cn1c2ccccc2c2nnc(NCCC(C)(C)O)nc21- InChIKey
PKLJJTPLJFTGRU-UHFFFAOYSA-N- Molecular formula
- C15H19N5O
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.15896025
Overview
structure
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-3-methylbutylamino)-5-methyl-as-triazino(5,6-b)indole
- IUPAC
- 2-methyl-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol
Names & synonyms
Skf 30097ZEU640POGA20154-25-03-(3-Hydroxy-3-methylbutylamino)-5-methyl-as-triazino(5,6-b)indoleSKF-30097RefChem:9109612-methyl-4-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl))amino-2-butanolSK&F 300972-methyl-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol2-methyl-4-((5-methyl-5H-as-triazino-(5,6-b)indol-3-yl)amino)-2-butanolUNII-ZEU640POGADTXSID60942199
Show more names
SK&F-300972-Butanol, 2-methyl-4-[(5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)amino]-Q272954183-(3-Hydroxy-3-methylbutylamino)-5-methyl-as- triazino(5,6-b)indole2-Methyl-4-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl)amino)-2-butanol2-Methyl-4-[(5-methyl-4,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-ylidene)amino]butan-2-ol
Database identifiers
- CAS
20154-25-0- PubChem CID
- 31774
- DTXSID
DTXSID60942199- UNII
- ZEU640POGA
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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