ChemDB: Chemical Search
Download
Chemical ID: 6917867
Chemical ID:
6917867
Name [?]:
6-isopropylamino-1,3,5-triazine-2,4-diol
SMILES [?]:
CC(C)Nc1nc(nc(n1)O)O
InChi [?]:
InChI=1/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,2,5,7,9,4,6,10,8,12,11/E:(1,2)(5,6)(8,9)(11,12)/rA:12nCCCNCNCNCNOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18968 |
Area: | 335.553 |
Solvation: | -2.19914 |
Coulombic: | -65.5956 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.169 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.8 |
LogP (Chemaxon): | 1.38 |
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 |
---|