Chemical ID: 3995354

COc1ccc(cc1OC)c2nnc(n2N)S
Chemical ID:
3995354
Name [?]:
4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol
SMILES [?]:
COc1ccc(cc1OC)c2nnc(n2N)S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H12N4O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.30066
Area:423.111
Solvation:-5.27711
Coulombic:-37.3019
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.294
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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