2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C15H12N6OS — CID 22002455

IUPAC2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(SCc2ccccn2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H12N6OS/c16-15-19-13(23-9-10-4-1-2-6-17-10)8-12-18-14(20-21(12)15)11-5-3-7-22-11/h1-8H,9H2,(H2,16,19)
InChIKeyXNHRQXVNAMTHAA-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.65
Rot. Bonds4

About 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 22002455) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID22002455
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(SCc2ccccn2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H12N6OS/c16-15-19-13(23-9-10-4-1-2-6-17-10)8-12-18-14(20-21(12)15)11-5-3-7-22-11/h1-8H,9H2,(H2,16,19)
InChIKeyXNHRQXVNAMTHAA-UHFFFAOYSA-N
XLogP2.65
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.65
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)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 22002455) is 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(SCc2ccccn2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is XNHRQXVNAMTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c16-15-19-13(23-9-10-4-1-2-6-17-10)8-12-18-14(20-21(12)15)11-5-3-7-22-11/h1-8H,9H2,(H2,16,19).
What are the key properties of 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 324.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 22002455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).