[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol

C8H13N3O2 — CID 103988254

IUPAC[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CC2CCOC2)n[nH]1
InChIInChI=1S/C8H13N3O2/c12-4-8-9-7(10-11-8)3-6-1-2-13-5-6/h6,12H,1-5H2,(H,9,10,11)
InChIKeyKPEFNYAADAYEQY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.12
Rot. Bonds3

About [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 103988254) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID103988254
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CC2CCOC2)n[nH]1
InChIInChI=1S/C8H13N3O2/c12-4-8-9-7(10-11-8)3-6-1-2-13-5-6/h6,12H,1-5H2,(H,9,10,11)
InChIKeyKPEFNYAADAYEQY-UHFFFAOYSA-N
XLogP-0.12
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol (CID 103988254) is [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol is OCc1nc(CC2CCOC2)n[nH]1.
What is the InChIKey of [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is KPEFNYAADAYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-4-8-9-7(10-11-8)3-6-1-2-13-5-6/h6,12H,1-5H2,(H,9,10,11).
What are the key properties of [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 103988254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).