furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone

C13H9N3O2 — CID 6408752

IUPACfuran-2-yl-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1ccco1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-13(10-7-4-8-18-10)12-11(14-16-15-12)9-5-2-1-3-6-9/h1-8H,(H,14,15,16)
InChIKeyDEYFPDFYCCEHOW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.30
Rot. Bonds3

About furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone

furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone (PubChem CID 6408752) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-phenyl-2H-triazol-4-yl)methanone
PubChem CID6408752
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namefuran-2-yl-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1ccco1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-13(10-7-4-8-18-10)12-11(14-16-15-12)9-5-2-1-3-6-9/h1-8H,(H,14,15,16)
InChIKeyDEYFPDFYCCEHOW-UHFFFAOYSA-N
XLogP2.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone?
The IUPAC name of furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone (CID 6408752) is furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone?
The canonical SMILES for furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone is O=C(c1ccco1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone?
The InChIKey is DEYFPDFYCCEHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(10-7-4-8-18-10)12-11(14-16-15-12)9-5-2-1-3-6-9/h1-8H,(H,14,15,16).
What are the key properties of furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone?
furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone has a molecular weight of 239.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-phenyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 6408752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).