1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C11H15N3O2 — CID 107045958

IUPAC1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cn(C)nn2)o1
InChIInChI=1S/C11H15N3O2/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyMCZYXIIPLOIAIO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.25
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045958) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045958
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cn(C)nn2)o1
InChIInChI=1S/C11H15N3O2/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyMCZYXIIPLOIAIO-UHFFFAOYSA-N
XLogP1.25
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744968
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
2-(4-chlorophenyl)-1-(5-ethylfuran-2-yl)ethanol
CID 63895693
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045958) is 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol is CCc1ccc(C(O)Cc2cn(C)nn2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is MCZYXIIPLOIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 221.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).