[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol

C12H13N3O2 — CID 68527355

IUPAC[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
SMILESOCC1(n2nccn2)OCC1c1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2
InChIKeyQOMPAQDDMJXCKW-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.74
Rot. Bonds3

About [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol

[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol (PubChem CID 68527355) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
PubChem CID68527355
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
SMILESOCC1(n2nccn2)OCC1c1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2
InChIKeyQOMPAQDDMJXCKW-UHFFFAOYSA-N
XLogP0.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The IUPAC name of [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol (CID 68527355) is [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol.
What is the SMILES notation for [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The canonical SMILES for [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol is OCC1(n2nccn2)OCC1c1ccccc1.
What is the InChIKey of [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The InChIKey is QOMPAQDDMJXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2.
What are the key properties of [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
[3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol has a molecular weight of 231.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol is sourced from PubChem (CID 68527355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).