Chemical ID: 5817124

c1ccc2c(c1)[nH]c(=Nn3cnnc3)[nH]2
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

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Descriptor Annotations

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