5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H12N4O — CID 59276394

IUPAC5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(Nc2nc3cccc(-c4ccoc4)n3n2)cc1
InChIInChI=1S/C16H12N4O/c1-2-5-13(6-3-1)17-16-18-15-8-4-7-14(20(15)19-16)12-9-10-21-11-12/h1-11H,(H,17,19)
InChIKeyVYRFAUOCRYRAIZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.73
Rot. Bonds3

About 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276394) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276394
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(Nc2nc3cccc(-c4ccoc4)n3n2)cc1
InChIInChI=1S/C16H12N4O/c1-2-5-13(6-3-1)17-16-18-15-8-4-7-14(20(15)19-16)12-9-10-21-11-12/h1-11H,(H,17,19)
InChIKeyVYRFAUOCRYRAIZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276394) is 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1ccc(Nc2nc3cccc(-c4ccoc4)n3n2)cc1.
What is the InChIKey of 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is VYRFAUOCRYRAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-5-13(6-3-1)17-16-18-15-8-4-7-14(20(15)19-16)12-9-10-21-11-12/h1-11H,(H,17,19).
What are the key properties of 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).