ChemDB: Chemical Search
Download
Chemical ID: 7440024
Chemical ID:
7440024
Name [?]:
6-(benzotriazol-1-yloxymethyl)-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
SMILES [?]:
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
InChi [?]:
InChI=1/C12H14N8O/c1-19(2)12-15-10(14-11(13)16-12)7-21-20-9-6-4-3-5-8(9)17-18-20/h3-6H,7H2,1-2H3,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,11,19,14,6,8,4,10,7,5,9,20,21,2,13,12/E:(1,2)/rA:21nCNCCNCNCNNCONCCCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N8O |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62775 |
Area: | 488.561 |
Solvation: | -2.58627 |
Coulombic: | -49.0097 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.57 |
LogP (Chemaxon): | 2.84 |
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 |
---|