Chemical ID: 6501005

CN(C1C(C(C(C(O1)CO)O)O)O)C(=O)c2[nH]ncn2
Chemical ID:
6501005
Name [?]:
N-methyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2H-1,2,4-triazole-3-carboxamide
SMILES [?]:
CN(C1C(C(C(C(O1)CO)O)O)O)C(=O)c2[nH]ncn2
InChi [?]:
InChI=1/C10H16N4O6/c1-14(9(19)8-11-3-12-13-8)10-7(18)6(17)5(16)4(2-15)20-10/h3-7,10,15-18H,2H2,1H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,19,7,6,5,4,16,14,3,20,18,17,2,10,11,12,13,15,8/rA:20cCNCCCCCOCOOOOCOCNNCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s6;s5;s4;s2;d14;s14;s16;s17;d18;d16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16N4O6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:5
ZAP Information [?]
Total:1.57735
Area:445.258
Solvation:-9.5541
Coulombic:-106.23
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.257
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-2.56
LogP (Chemaxon):-2.28

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