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

C13H15N3O4 — CID 59360691

IUPAC2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
SMILESOC1COC(n2cc(-c3ccccc3)nn2)C(O)C1O
InChIInChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2
InChIKeyIZQWJOYMWGBARR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.44
Rot. Bonds2

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

2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol (PubChem CID 59360691) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
PubChem CID59360691
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
SMILESOC1COC(n2cc(-c3ccccc3)nn2)C(O)C1O
InChIInChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2
InChIKeyIZQWJOYMWGBARR-UHFFFAOYSA-N
XLogP-0.44
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol?
The IUPAC name of 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol (CID 59360691) is 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol?
The canonical SMILES for 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol is OC1COC(n2cc(-c3ccccc3)nn2)C(O)C1O.
What is the InChIKey of 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol?
The InChIKey is IZQWJOYMWGBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2.
What are the key properties of 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol?
2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol has a molecular weight of 277.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol is sourced from PubChem (CID 59360691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).