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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Related Compounds

4-[(2S,6S)-6-[1-[[(2S,6S)-6-hexyloxan-2-yl]methyl]triazol-4-yl]oxan-2-yl]butan-1-ol
CID 137636451
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
CID 46885377
6-[4-[(2S,6S)-6-[[4-[(2S,6S)-6-(4-hydroxybutyl)oxan-2-yl]triazol-1-yl]methyl]oxan-2-yl]butoxy]hexan-1-ol
CID 137662052
(2R,3S,4S,5S,6R)-2-methyl-6-[1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(2-hydroxyethyl)tetrahydropyran-2-yl]methyl]triazol-4-yl]tetrahydropyran-3,4,5-triol
CID 49782623
4-(Oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole
CID 142539983
(3R,6S)-2-(hydroxymethyl)-6-(1-propyltriazol-4-yl)oxane-3,4,5-triol
CID 68404014
1,4-Bis(oxolan-2-yl)triazole
CID 70481799
(2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-[1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]triazol-4-yl]tetrahydropyran-3,4,5-triol
CID 86731916
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol
CID 90354612
2-[1-[3,4-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123139310
2-(Hydroxymethyl)-6-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]oxane-3,4,5-triol
CID 123214684
4-(1-Methyltriazol-4-yl)oxan-4-ol
CID 130602175

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).