(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol

C13H15N3O4 — CID 70701967

IUPAC(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol
SMILESOC1[C@H](O)O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1O
InChIInChI=1S/C13H15N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11+,12?,13-/m1/s1
InChIKeyAJZFQKOAUIHNQF-ZGVCCVRISA-N
MW277.28 g/mol
LogP-0.62
Rot. Bonds3

About (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol

(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol (PubChem CID 70701967) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol
PubChem CID70701967
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol
SMILESOC1[C@H](O)O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1O
InChIInChI=1S/C13H15N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11+,12?,13-/m1/s1
InChIKeyAJZFQKOAUIHNQF-ZGVCCVRISA-N
XLogP-0.62
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol (CID 70701967) is (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol is OC1[C@H](O)O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1O.
What is the InChIKey of (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol?
The InChIKey is AJZFQKOAUIHNQF-ZGVCCVRISA-N. The full InChI is InChI=1S/C13H15N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11+,12?,13-/m1/s1.
What are the key properties of (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol?
(2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol has a molecular weight of 277.28 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-[(4-phenyltriazol-1-yl)methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 70701967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).