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Chemical ID: 4514231
Chemical ID:
4514231
Name [?]:
None
SMILES [?]:
c12c(non1)NC3C(N2)NC(=O)N3
InChi [?]:
InChI=1/C5H6N6O2/c12-5-8-1-2(9-5)7-4-3(6-1)10-13-11-4/h1-2H,(H,6,10)(H,7,11)(H2,8,9,12)
InChi Info:
AuxInfo=1/1/N:7,8,2,1,11,6,9,13,10,3,5,12,4/E:(1,2)(3,4)(6,7)(8,9)(10,11)/gE:(1,2)/rA:13cCCNONNCCNNCON/rB:s1;d2;s3;d1s4;s2;s6;s7;s1s8;s8;s10;d11;s7s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N6O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.23501 |
Area: | 312.416 |
Solvation: | -2.57538 |
Coulombic: | -62.0823 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.14 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.12 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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