Structure Info
- Chemspace ID
- CSMB00009987614 (Enamine MADE)
- MFCD
- MFCD20728235
- IUPAC Name
- 3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
- Mol formula
- C4H2N4O2
- Mol weight
- 138 Da
- Catalog Number(s)
- AA004AXT, AG004B0L, AR004BPL, BBV-40017253, CS-0498513, CSC009987614, FCH1311071, SY352290, Y1377686, Y218216
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.68
- Heavy atoms count
- 10
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00009987614
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