Chemical ID: 5280074

Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5
Chemical ID:
5280074
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5
InChi [?]:
InChI=1/C20H22N6/c1-13-8-9-17(14(2)10-13)26-19-16(11-22-26)20-23-18(24-25(20)12-21-19)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,25,22,26,3,4,7,12,19,2,6,21,11,5,16,10,14,20,13,15,17,18,9/E:(4,5)(6,7)/rA:26nCCCCCCCCNCCCNCNCNNCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7486
Area:550.594
Solvation:-2.01621
Coulombic:-23.2168
Bond Count [?]
All:30
Single:22
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.429
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.32
LogP (Chemaxon):5.62

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