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Chemical ID: 5817124
Chemical ID:
5817124
Name [?]:
N-(1,2,4-triazol-4-yl)-1,3-dihydrobenzoimidazol-2-imine
SMILES [?]:
c1ccc2c(c1)[nH]c(=Nn3cnnc3)[nH]2
InChi [?]:
InChI=1/C9H8N6/c1-2-4-8-7(3-1)12-9(13-8)14-15-5-10-11-6-15/h1-6H,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,14,5,4,8,12,13,7,15,9,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:15nCCCCCCNCNNCNNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s12;s10d13;s4s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N6 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.92896 |
Area: | 364.121 |
Solvation: | -2.17408 |
Coulombic: | -32.1979 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 200.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.0 |
LogP (Chemaxon): | -3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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