Chemical ID: 5181341

c1c(nnn1C2C(C(C(O2)CO)O)O)C(=O)N
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

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