[1-(furan-2-ylmethyl)triazol-4-yl]methanol

C8H9N3O2 — CID 62401275

IUPAC[1-(furan-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccco2)nn1
InChIInChI=1S/C8H9N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h1-4,12H,5-6H2
InChIKeyYDLHBWXKYUKVOP-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.41
Rot. Bonds3

About [1-(furan-2-ylmethyl)triazol-4-yl]methanol

[1-(furan-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 62401275) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)triazol-4-yl]methanol
PubChem CID62401275
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[1-(furan-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccco2)nn1
InChIInChI=1S/C8H9N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h1-4,12H,5-6H2
InChIKeyYDLHBWXKYUKVOP-UHFFFAOYSA-N
XLogP0.41
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(furan-2-ylmethyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(furan-2-ylmethyl)triazol-4-yl]methanol (CID 62401275) is [1-(furan-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(furan-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(furan-2-ylmethyl)triazol-4-yl]methanol is OCc1cn(Cc2ccco2)nn1.
What is the InChIKey of [1-(furan-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is YDLHBWXKYUKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h1-4,12H,5-6H2.
What are the key properties of [1-(furan-2-ylmethyl)triazol-4-yl]methanol?
[1-(furan-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 179.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 62401275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).