Chemical ID: 4915875

COCCN1c2c(c(nc(n2)N)N)N=C3C1=CCCC3
Chemical ID:
4915875
Name [?]:
None
SMILES [?]:
COCCN1c2c(c(nc(n2)N)N)N=C3C1=CCCC3
InChi [?]:
InChI=1/C13H18N6O/c1-20-7-6-19-9-5-3-2-4-8(9)16-10-11(14)17-13(15)18-12(10)19/h5H,2-4,6-7H2,1H3,(H4,14,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,4,3,15,16,7,8,6,10,13,12,14,9,11,5,2/rA:20nCOCCNCCCNCNNNNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s8;s7;d14;s5s15;d16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N6O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.69625
Area:447.605
Solvation:-3.49387
Coulombic:-64.5362
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.322
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.48
LogP (Chemaxon):2.18

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