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Chemical ID: 4616229
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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