Chemical ID: 6735543

c1ccc2c(c1)[nH]c([nH+]2)Nn3cnnc3
Chemical ID:
6735543
Name [?]:
N-(1,2,4-triazol-4-yl)-1,3-dihydrobenzoimidazol-2-amine
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)Nn3cnnc3
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)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,15,5,4,8,13,14,7,9,10,11/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:15nCCCCCCNCN+NNCNNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N6+
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-25.3471
Area:359.842
Solvation:-34.3431
Coulombic:-20.3833
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.208
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.26
LogP (Chemaxon):0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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