4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine

C17H12N4O — CID 648830

IUPAC4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
InChIInChI=1S/C17H12N4O/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H
InChIKeyWFUHAMNOWNMQSC-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.59
Rot. Bonds3

About 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine

4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 648830) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine
PubChem CID648830
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
InChIInChI=1S/C17H12N4O/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H
InChIKeyWFUHAMNOWNMQSC-UHFFFAOYSA-N
XLogP3.59
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine (CID 648830) is 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine is c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is WFUHAMNOWNMQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H.
What are the key properties of 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine?
4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 288.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 648830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).