furan-3-yl-(1-methyltriazol-4-yl)methanol

C8H9N3O2 — CID 130521695

IUPACfuran-3-yl-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccoc2)nn1
InChIInChI=1S/C8H9N3O2/c1-11-4-7(9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3
InChIKeyJUYCXCGYTVTXPB-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.49
Rot. Bonds2

About furan-3-yl-(1-methyltriazol-4-yl)methanol

furan-3-yl-(1-methyltriazol-4-yl)methanol (PubChem CID 130521695) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is furan-3-yl-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Namefuran-3-yl-(1-methyltriazol-4-yl)methanol
PubChem CID130521695
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Namefuran-3-yl-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccoc2)nn1
InChIInChI=1S/C8H9N3O2/c1-11-4-7(9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3
InChIKeyJUYCXCGYTVTXPB-UHFFFAOYSA-N
XLogP0.49
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(1-methyltriazol-4-yl)methanol?
The IUPAC name of furan-3-yl-(1-methyltriazol-4-yl)methanol (CID 130521695) is furan-3-yl-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for furan-3-yl-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for furan-3-yl-(1-methyltriazol-4-yl)methanol is Cn1cc(C(O)c2ccoc2)nn1.
What is the InChIKey of furan-3-yl-(1-methyltriazol-4-yl)methanol?
The InChIKey is JUYCXCGYTVTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-11-4-7(9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3.
What are the key properties of furan-3-yl-(1-methyltriazol-4-yl)methanol?
furan-3-yl-(1-methyltriazol-4-yl)methanol has a molecular weight of 179.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 130521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).