[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol

C9H15N3O2 — CID 103138035

IUPAC[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
SMILESCC1CCC(Cn2cc(CO)nn2)O1
InChIInChI=1S/C9H15N3O2/c1-7-2-3-9(14-7)5-12-4-8(6-13)10-11-12/h4,7,9,13H,2-3,5-6H2,1H3
InChIKeyCSAARALGLXMRGM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds3

About [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol

[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol (PubChem CID 103138035) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
PubChem CID103138035
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
SMILESCC1CCC(Cn2cc(CO)nn2)O1
InChIInChI=1S/C9H15N3O2/c1-7-2-3-9(14-7)5-12-4-8(6-13)10-11-12/h4,7,9,13H,2-3,5-6H2,1H3
InChIKeyCSAARALGLXMRGM-UHFFFAOYSA-N
XLogP0.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol (CID 103138035) is [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol is CC1CCC(Cn2cc(CO)nn2)O1.
What is the InChIKey of [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol?
The InChIKey is CSAARALGLXMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-2-3-9(14-7)5-12-4-8(6-13)10-11-12/h4,7,9,13H,2-3,5-6H2,1H3.
What are the key properties of [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol?
[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol has a molecular weight of 197.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 103138035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).