2-(4-Chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-5-trimethylsilyl-2-pentanol

ID: ALA2268758

PubChem CID: 11121280

Max Phase: Preclinical

Molecular Formula: C16H24ClN3OSi

Molecular Weight: 337.93

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  C[Si](C)(C)CCCC(O)(Cn1cncn1)c1ccc(Cl)cc1

Standard InChI:  InChI=1S/C16H24ClN3OSi/c1-22(2,3)10-4-9-16(21,11-20-13-18-12-19-20)14-5-7-15(17)8-6-14/h5-8,12-13,21H,4,9-11H2,1-3H3

Standard InChI Key:  OUDTZLNARFNZPX-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   18.2424  -10.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0595  -10.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6545  -10.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3606  -11.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3595  -12.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0675  -13.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7772  -12.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7744  -11.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0657  -11.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7698  -10.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0667   -9.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8302  -11.4199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0132  -11.5015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8392  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5449  -12.7122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1549  -12.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8839   -9.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2960   -8.6015    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   21.1132   -8.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8910   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6981   -7.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0673  -13.9940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9  2  1  0
  2 10  1  0
  3 11  1  0
  1 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
  6 22  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA2268758

   2-(4-Chlorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 337.93

Molecular Weight (Monoisotopic): 337.1377

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References

1. Itoh H, Yoneda R, Tobitsuka J, Ohta H, Takahi Y, Tsuda M, Takeshiba H..  (2003)  Synthesis of 1-triazolyl-4-trimethylsilyl-2-butanol and 1-triazolyl-5-trimethylsilyl-2-pentanol derivatives and an investigation of their fungicidal activities.,  51  (9): [PMID:12951461] [10.1248/cpb.51.1113]

Source

Source(1):

• Scientific Literature