Chemical ID: 6917867

CC(C)Nc1nc(nc(n1)O)O
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue