2-(1-methyltriazol-4-yl)oxan-4-ol

C8H13N3O2 — CID 130599146

IUPAC2-(1-methyltriazol-4-yl)oxan-4-ol
SMILESCn1cc(C2CC(O)CCO2)nn1
InChIInChI=1S/C8H13N3O2/c1-11-5-7(9-10-11)8-4-6(12)2-3-13-8/h5-6,8,12H,2-4H2,1H3
InChIKeyFNYNCNVGLYJGFL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)oxan-4-ol

2-(1-methyltriazol-4-yl)oxan-4-ol (PubChem CID 130599146) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)oxan-4-ol
PubChem CID130599146
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1-methyltriazol-4-yl)oxan-4-ol
SMILESCn1cc(C2CC(O)CCO2)nn1
InChIInChI=1S/C8H13N3O2/c1-11-5-7(9-10-11)8-4-6(12)2-3-13-8/h5-6,8,12H,2-4H2,1H3
InChIKeyFNYNCNVGLYJGFL-UHFFFAOYSA-N
XLogP0.03
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)oxan-4-ol?
The IUPAC name of 2-(1-methyltriazol-4-yl)oxan-4-ol (CID 130599146) is 2-(1-methyltriazol-4-yl)oxan-4-ol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)oxan-4-ol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)oxan-4-ol is Cn1cc(C2CC(O)CCO2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)oxan-4-ol?
The InChIKey is FNYNCNVGLYJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-5-7(9-10-11)8-4-6(12)2-3-13-8/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)oxan-4-ol?
2-(1-methyltriazol-4-yl)oxan-4-ol has a molecular weight of 183.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)oxan-4-ol is sourced from PubChem (CID 130599146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).