[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone

C13H8ClN3O2 — CID 56834533

IUPAC[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)n1cncn1
InChIInChI=1S/C13H8ClN3O2/c14-10-4-2-1-3-9(10)11-5-6-12(19-11)13(18)17-8-15-7-16-17/h1-8H
InChIKeyZSYSFTYLJQBULC-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.88
Rot. Bonds2

About [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone

[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone (PubChem CID 56834533) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone
PubChem CID56834533
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)n1cncn1
InChIInChI=1S/C13H8ClN3O2/c14-10-4-2-1-3-9(10)11-5-6-12(19-11)13(18)17-8-15-7-16-17/h1-8H
InChIKeyZSYSFTYLJQBULC-UHFFFAOYSA-N
XLogP2.88
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone (CID 56834533) is [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone is O=C(c1ccc(-c2ccccc2Cl)o1)n1cncn1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone?
The InChIKey is ZSYSFTYLJQBULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-4-2-1-3-9(10)11-5-6-12(19-11)13(18)17-8-15-7-16-17/h1-8H.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone?
[5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone has a molecular weight of 273.68 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 56834533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).