2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol

C10H17N3O4 — CID 174161051

IUPAC2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol
SMILESCOC1COC(C)(CO)C(O)(n2ccnn2)C1
InChIInChI=1S/C10H17N3O4/c1-9(7-14)10(15,13-4-3-11-12-13)5-8(16-2)6-17-9/h3-4,8,14-15H,5-7H2,1-2H3
InChIKeyMJDFWAUMBSPIEE-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.89
Rot. Bonds3

About 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol

2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol (PubChem CID 174161051) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol
PubChem CID174161051
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol
SMILESCOC1COC(C)(CO)C(O)(n2ccnn2)C1
InChIInChI=1S/C10H17N3O4/c1-9(7-14)10(15,13-4-3-11-12-13)5-8(16-2)6-17-9/h3-4,8,14-15H,5-7H2,1-2H3
InChIKeyMJDFWAUMBSPIEE-UHFFFAOYSA-N
XLogP-0.89
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol (CID 174161051) is 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol is COC1COC(C)(CO)C(O)(n2ccnn2)C1.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol?
The InChIKey is MJDFWAUMBSPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-9(7-14)10(15,13-4-3-11-12-13)5-8(16-2)6-17-9/h3-4,8,14-15H,5-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol?
2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol has a molecular weight of 243.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxy-2-methyl-3-(triazol-1-yl)oxan-3-ol is sourced from PubChem (CID 174161051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).