1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C10H13N3O2 — CID 107046440

IUPAC1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N3O2/c1-7-3-4-15-10(7)9(14)5-8-6-13(2)12-11-8/h3-4,6,9,14H,5H2,1-2H3
InChIKeyWIFZBYUWYUTTDT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107046440) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107046440
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N3O2/c1-7-3-4-15-10(7)9(14)5-8-6-13(2)12-11-8/h3-4,6,9,14H,5H2,1-2H3
InChIKeyWIFZBYUWYUTTDT-UHFFFAOYSA-N
XLogP0.99
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.99
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
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065682
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045958
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 104800764
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107046440) is 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol is Cc1ccoc1C(O)Cc1cn(C)nn1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is WIFZBYUWYUTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-3-4-15-10(7)9(14)5-8-6-13(2)12-11-8/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 207.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107046440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).