Chemical ID: 4710115

Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
Chemical ID:
4710115
Name [?]:
3-(4-acetyl-5-methyl-triazol-1-yl)-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILES [?]:
Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H8F3N5O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.42443
Area:446.061
Solvation:-3.72709
Coulombic:-37.5988
Bond Count [?]
All:22
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.22
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.04
LogP (Chemaxon):0.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue