4-[(5-Methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol
Basic information
- CAS
23563-07-7- Standard SMILES
CC(O)CCNc1nnc2c3ccccc3n(C)c2n1- InChIKey
MJQJGCSMTZFDLH-UHFFFAOYSA-N- Molecular formula
- C14H17N5O
- Average molar mass
- 271.32 g/mol
- Monoisotopic mass
- 271.14331018
Names & identifiers
- Preferred name
- 4-[(5-Methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol
- IUPAC
- 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol
Names & synonyms
23563-07-7NSC183520NSC 1835204-((5-Methyl-5H-(1,2,4)triazino(5,6-b)indol-3-yl)amino)-2-butanol4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-2-ol4-((5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)amino)-2-butanolNSC-183520
Database identifiers
- CAS
23563-07-7- PubChem CID
- 302045
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…