2-(triazol-1-yl)oxane-3,4,5-triol

C7H11N3O4 — CID 59360663

IUPAC2-(triazol-1-yl)oxane-3,4,5-triol
SMILESOC1COC(n2ccnn2)C(O)C1O
InChIInChI=1S/C7H11N3O4/c11-4-3-14-7(6(13)5(4)12)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2
InChIKeyWFGOWZLHMYOBCC-UHFFFAOYSA-N
MW201.18 g/mol
LogP-2.11
Rot. Bonds1

About 2-(triazol-1-yl)oxane-3,4,5-triol

2-(triazol-1-yl)oxane-3,4,5-triol (PubChem CID 59360663) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(triazol-1-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(triazol-1-yl)oxane-3,4,5-triol
PubChem CID59360663
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(triazol-1-yl)oxane-3,4,5-triol
SMILESOC1COC(n2ccnn2)C(O)C1O
InChIInChI=1S/C7H11N3O4/c11-4-3-14-7(6(13)5(4)12)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2
InChIKeyWFGOWZLHMYOBCC-UHFFFAOYSA-N
XLogP-2.11
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)oxane-3,4,5-triol?
The IUPAC name of 2-(triazol-1-yl)oxane-3,4,5-triol (CID 59360663) is 2-(triazol-1-yl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(triazol-1-yl)oxane-3,4,5-triol?
The canonical SMILES for 2-(triazol-1-yl)oxane-3,4,5-triol is OC1COC(n2ccnn2)C(O)C1O.
What is the InChIKey of 2-(triazol-1-yl)oxane-3,4,5-triol?
The InChIKey is WFGOWZLHMYOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c11-4-3-14-7(6(13)5(4)12)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2.
What are the key properties of 2-(triazol-1-yl)oxane-3,4,5-triol?
2-(triazol-1-yl)oxane-3,4,5-triol has a molecular weight of 201.18 g/mol, XLogP of -2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)oxane-3,4,5-triol is sourced from PubChem (CID 59360663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).