Basic information
- CAS
4046-86-0- Standard SMILES
Cn1c2ccccc2c2nnc(NCCCO)nc21- InChIKey
HAFUDIVSEQDBAY-UHFFFAOYSA-N- Molecular formula
- C13H15N5O
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.12766012
Names & identifiers
- Preferred name
- SK&F 21687
- IUPAC
- 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Names & synonyms
4046-86-0Skf 216873H49C8S3IUNSC-183516SK&F 216873-((5-Methyl-5H-as-triazino(5,6-b)indol-3-yl)amino)-1-propanolDTXSID10193477SKF-216871-Propanol, 3-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl)amino)-RefChem:92007DTXCID20115968NSC183516
Show more names
3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-olUNII-3H49C8S3IUNSC 1835161-Propanol,2,4-triazino[5,6-b]indol-3-yl)amino]-Q27257198As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-3-((5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)amino)-1-propanol3-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Database identifiers
- CAS
4046-86-0- PubChem CID
- 19959
- DTXSID
DTXSID10193477- UNII
- 3H49C8S3IU
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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