[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol

C9H15N3O2 — CID 65166429

IUPAC[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCC2CCCO2)nn1
InChIInChI=1S/C9H15N3O2/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2
InChIKeyFVPQIJJQPDNKLO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds4

About [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol

[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol (PubChem CID 65166429) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
PubChem CID65166429
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCC2CCCO2)nn1
InChIInChI=1S/C9H15N3O2/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2
InChIKeyFVPQIJJQPDNKLO-UHFFFAOYSA-N
XLogP0.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
CID 113424609
2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62401850
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
2-[4-[[2-(oxolan-2-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458644
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526

Frequently Asked Questions

What is the IUPAC name of [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol (CID 65166429) is [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol is OCc1cn(CCC2CCCO2)nn1.
What is the InChIKey of [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol?
The InChIKey is FVPQIJJQPDNKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h6,9,13H,1-5,7H2.
What are the key properties of [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol?
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol has a molecular weight of 197.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 65166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).