3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole

C18H13N3O — CID 645741

IUPAC3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1
InChIInChI=1S/C18H13N3O/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H
InChIKeyYYGYJXQVLZFYKG-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.19
Rot. Bonds3

About 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole

3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole (PubChem CID 645741) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole
PubChem CID645741
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1
InChIInChI=1S/C18H13N3O/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H
InChIKeyYYGYJXQVLZFYKG-UHFFFAOYSA-N
XLogP4.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole?
The IUPAC name of 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole (CID 645741) is 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole is c1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1.
What is the InChIKey of 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole?
The InChIKey is YYGYJXQVLZFYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole?
3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole has a molecular weight of 287.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 645741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).