furan-3-yl-(2-phenyltriazol-4-yl)methanone

C13H9N3O2 — CID 105099150

IUPACfuran-3-yl-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccoc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H9N3O2/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9H
InChIKeyYMNDRBPLEFWJGE-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds3

About furan-3-yl-(2-phenyltriazol-4-yl)methanone

furan-3-yl-(2-phenyltriazol-4-yl)methanone (PubChem CID 105099150) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is furan-3-yl-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(2-phenyltriazol-4-yl)methanone
PubChem CID105099150
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namefuran-3-yl-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccoc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H9N3O2/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9H
InChIKeyYMNDRBPLEFWJGE-UHFFFAOYSA-N
XLogP2.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of furan-3-yl-(2-phenyltriazol-4-yl)methanone (CID 105099150) is furan-3-yl-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for furan-3-yl-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for furan-3-yl-(2-phenyltriazol-4-yl)methanone is O=C(c1ccoc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of furan-3-yl-(2-phenyltriazol-4-yl)methanone?
The InChIKey is YMNDRBPLEFWJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9H.
What are the key properties of furan-3-yl-(2-phenyltriazol-4-yl)methanone?
furan-3-yl-(2-phenyltriazol-4-yl)methanone has a molecular weight of 239.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 105099150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).