Chemical ID: 4616229

C1NC2=Nc3c(non3)NC2=N1
Chemical ID:
4616229
Name [?]:
None
SMILES [?]:
C1NC2=Nc3c(non3)NC2=N1
InChi [?]:
InChI=1/C5H4N6O/c1-6-2-3(7-1)9-5-4(8-2)10-12-11-5/h1H2,(H,6,8,10)(H,7,9,11)
InChi Info:
AuxInfo=1/1/N:1,3,11,5,6,2,12,4,10,9,7,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)/gE:(1,2)/rA:12nCNCNCCNONNCN/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;s6;s3s10;s1d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N6O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.87475
Area:297.593
Solvation:-1.56508
Coulombic:-40.1738
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.125
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.87
LogP (Chemaxon):1.32

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