Chemical ID: 6146758

c1cnc2nc(cn2c1)CSc3[nH]ncn3
Chemical ID:
6146758
Name [?]:
8-(2H-1,2,4-triazol-3-ylsulfanylmethyl)-2,6,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1cnc2nc(cn2c1)CSc3[nH]ncn3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H8N6S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.13013
Area:405.009
Solvation:-2.99509
Coulombic:-32.1608
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.266
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.41
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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