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Chemical ID: 5224736
Chemical ID:
5224736
Name [?]:
3-(5-amino-3H-imidazol-4-yl)-2H-1,2,4-oxadiazol-5-one
SMILES [?]:
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
InChi [?]:
InChI=1/C5H5N5O2/c6-3-2(7-1-8-3)4-9-5(11)12-10-4/h1H,6H2,(H,7,8)(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,10,6,2,5,12,8,11,9/rA:12nCNCCNNCNOCON/rB:s1;s2;d3;d1s4;s4;s3;s7;s8;s9;d10;d7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N5O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.55871 |
Area: | 311.354 |
Solvation: | -2.22515 |
Coulombic: | -63.8298 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 167.126 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | -0.99 |
LogP (Chemaxon): | -1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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