Chemical ID: 5156122

CCC1=C(C(=O)N=C2c3c([nH]cn3)N=CN2C1O)C
Chemical ID:
5156122
Name [?]:
None
SMILES [?]:
CCC1=C(C(=O)N=C2c3c([nH]cn3)N=CN2C1O)C
InChi [?]:
InChI=1/C12H13N5O2/c1-3-7-6(2)11(18)16-10-8-9(14-4-13-8)15-5-17(10)12(7)19/h4-5,12,19H,3H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,19,2,12,15,4,3,9,10,8,5,17,13,11,14,7,16,6,18/rA:19cCCCCCONCCCNCNNCNCOC/rB:s1;s2;d3;s4;d5;s5;d7;s8;d9;s10;s11;s9d12;s10;d14;s8s15;s3s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N5O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.18498
Area:408.788
Solvation:-3.03471
Coulombic:-61.3425
Bond Count [?]
All:21
Single:15
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:259.264
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.1
LogP (Chemaxon):0.88

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