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Chemical ID: 5181341
Chemical ID:
5181341
Name [?]:
1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazole-4-carboxamide
SMILES [?]:
c1c(nnn1C2C(C(C(O2)CO)O)O)C(=O)N
InChi [?]:
InChI=1/C8H12N4O5/c9-7(16)3-1-12(11-10-3)8-6(15)5(14)4(2-13)17-8/h1,4-6,8,13-15H,2H2,(H2,9,16)
InChi Info:
AuxInfo=1/1/N:1,11,2,9,8,7,15,6,17,3,4,5,12,13,14,16,10/rA:17cCCNNNCCCCOCOOOCON/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s6s9;s9;s11;s8;s7;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N4O5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 4.03939 |
Area: | 412.369 |
Solvation: | -6.26985 |
Coulombic: | -89.3963 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.205 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -2.8 |
LogP (Chemaxon): | -2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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