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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Related Compounds

2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360708
2-[4-[(4-phenylphenoxy)methyl]triazol-1-yl]oxane-3,4,5-triol
CID 59360646
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
CID 11565773
(2S,3R,4S,5R)-2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25011962
(2S,3S,4R,5R)-2-[6-(methylamino)-2-(4-phenyltriazol-1-yl)purin-9-yl]oxane-3,4,5-triol
CID 102429610
2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360655
(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25014094
2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360717
N-[6-(4-phenyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 73134960
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[4-[3-[1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]phenyl]triazol-1-yl]oxane-3,4,5-triol
CID 86731886
(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25014090
N-[(3S,3aR,6S,6aR)-6-(4-phenyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
CID 11886725

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).