2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C16H14N6OS — CID 15730118

IUPAC2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(SCCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H14N6OS/c17-14-19-16(24-10-8-11-5-2-1-3-6-11)20-15-18-13(21-22(14)15)12-7-4-9-23-12/h1-7,9H,8,10H2,(H2,17,18,19,20,21)
InChIKeyCEWQLLPXYHHIQG-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.70
Rot. Bonds5

About 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 15730118) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID15730118
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(SCCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H14N6OS/c17-14-19-16(24-10-8-11-5-2-1-3-6-11)20-15-18-13(21-22(14)15)12-7-4-9-23-12/h1-7,9H,8,10H2,(H2,17,18,19,20,21)
InChIKeyCEWQLLPXYHHIQG-UHFFFAOYSA-N
XLogP2.70
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 15730118) is 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(SCCc2ccccc2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is CEWQLLPXYHHIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-14-19-16(24-10-8-11-5-2-1-3-6-11)20-15-18-13(21-22(14)15)12-7-4-9-23-12/h1-7,9H,8,10H2,(H2,17,18,19,20,21).
What are the key properties of 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 338.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 15730118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).