Chemical ID: 5706342

c1cnccc1c2nc([nH]n2)S
Chemical ID:
5706342
Name [?]:
5-(4-pyridyl)-2H-1,2,4-triazole-3-thiol
SMILES [?]:
c1cnccc1c2nc([nH]n2)S
InChi [?]:
InChI=1/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,7,9,3,8,11,10,12/E:(1,2)(3,4)/rA:12nCCNCCCCNCNNS/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.5198
Area:339.554
Solvation:-1.96906
Coulombic:-22.756
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.215
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.34
LogP (Chemaxon):1.29

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Descriptor Annotations

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