ChemDB: Chemical Search
Download
Chemical ID: 5142640
Chemical ID:
5142640
Name [?]:
3,5-dimethyl-2,8,9-triazabicyclo[4.3.0]nona-1,3,5-trien-7-imine
SMILES [?]:
Cc1cc(nc2c1c(=N)[nH][nH]2)C
InChi [?]:
InChI=1/C8H10N4/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H3,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,3,2,4,7,8,6,9,5,10,11/rA:12nCCCCNCCCNNNC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s8;s6s10;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10557 |
Area: | 314.571 |
Solvation: | -1.75872 |
Coulombic: | -33.7892 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.35 |
LogP (Chemaxon): | 0.73 |
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 |
---|