ChemDB: Chemical Search
Download
Chemical ID: 6735543
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|