Chemical ID: 5779505

c1nc([nH]n1)I
Chemical ID:
5779505
Name [?]:
3-iodo-2H-1,2,4-triazole
SMILES [?]:
c1nc([nH]n1)I
InChi [?]:
InChI=1/C2H2IN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChi Info:
AuxInfo=1/1/N:1,3,6,2,5,4/rA:6nCNCNNI/rB:s1;d2;s3;d1s4;s3;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C2H2IN3
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:4.90643
Area:244.254
Solvation:-1.19992
Coulombic:-15.4163
Bond Count [?]
All:6
Single:4
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:194.962
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.01
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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