Chemical ID: 5228241

Cc1cn(c2c1-c3c(cn[nH]3)CC2)C
Chemical ID:
5228241
Name [?]:
None
SMILES [?]:
Cc1cn(c2c1-c3c(cn[nH]3)CC2)C
InChi [?]:
InChI=1/C11H13N3/c1-7-6-14(2)9-4-3-8-5-12-13-11(8)10(7)9/h5-6H,3-4H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,12,13,9,3,2,8,5,6,7,10,11,4/rA:14nCCCNCCCCCNNCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s8;s5s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.59045
Area:344.331
Solvation:-2.01782
Coulombic:-13.6759
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.241
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.74
LogP (Chemaxon):1.59

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