Structure Info
- Chemspace ID
- CSMB00102444629 (Enamine MADE)
- IUPAC Name
- N2-(but-3-yn-1-yl)-6-chloro-1,3,5-triazine-2,4-diamine
- Mol formula
- C7H8ClN5
- Mol weight
- 198 Da
- Catalog Number(s)
- BBV-113910945, CSC102444629, CSCR00695647877, Z2969666043, s_88_23130800_25921190, s_88____23130800____25921190
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.28
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.285
- Polar surface area (Å)
- 77
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00102444629
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