Chemical ID: 4714351

c1c(cnc(c1Sc2[nH]nc(n2)N)C#N)C(F)(F)F
Chemical ID:
4714351
Name [?]:
3-[(5-amino-2H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILES [?]:
c1c(cnc(c1Sc2[nH]nc(n2)N)C#N)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H5F3N6S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.68884
Area:426.883
Solvation:-2.98325
Coulombic:-60.6464
Bond Count [?]
All:20
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.238
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.29
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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