Molecule FYI-1016039

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A

Molecule Summary:

ID: FYI-1016039
Names:
InChIKey: DQZBHUXBFNBJLX-UHFFFAOYSA-N
SMILES: N#CCc1c[nH]cn1

Received at FYIcenter.com on: 2025-11-11

Molecule ID: FYI-1016039 Edit

Molecule Structure InChIKey: DQZBHUXBFNBJLX-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCc1c[nH]cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016039
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.9709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    4.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016039-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -1.1472   -1.0526   -0.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    0.9462    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    0.6017   -0.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1859   -0.3013    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479   -0.8276    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7705    0.9282    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2522   -0.2615   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199   -0.0330   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -1.8743    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899   -0.8116    1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611   -2.0169   -0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3337    1.8028    0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1588   -0.6234   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2026-04-13, 966👍, 0💬