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

C14H17N3O5 — CID 59360708

IUPAC2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
SMILESCOc1ccccc1-c1cn(C2OCC(O)C(O)C2O)nn1
InChIInChI=1S/C14H17N3O5/c1-21-11-5-3-2-4-8(11)9-6-17(16-15-9)14-13(20)12(19)10(18)7-22-14/h2-6,10,12-14,18-20H,7H2,1H3
InChIKeyOELSIXNPLXMDHH-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.43
Rot. Bonds3

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

2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 59360708) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID59360708
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
SMILESCOc1ccccc1-c1cn(C2OCC(O)C(O)C2O)nn1
InChIInChI=1S/C14H17N3O5/c1-21-11-5-3-2-4-8(11)9-6-17(16-15-9)14-13(20)12(19)10(18)7-22-14/h2-6,10,12-14,18-20H,7H2,1H3
InChIKeyOELSIXNPLXMDHH-UHFFFAOYSA-N
XLogP-0.43
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol (CID 59360708) is 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol is COc1ccccc1-c1cn(C2OCC(O)C(O)C2O)nn1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is OELSIXNPLXMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-21-11-5-3-2-4-8(11)9-6-17(16-15-9)14-13(20)12(19)10(18)7-22-14/h2-6,10,12-14,18-20H,7H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol?
2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 307.31 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 59360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).