2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H13N5OS — CID 20961786

IUPAC2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccs2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C15H13N5OS/c1-10-8-13(16-9-11-4-3-7-22-11)20-15(17-10)18-14(19-20)12-5-2-6-21-12/h2-8,16H,9H2,1H3
InChIKeyMLWCLWRZNNEMLH-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.37
Rot. Bonds4

About 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20961786) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID20961786
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccs2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C15H13N5OS/c1-10-8-13(16-9-11-4-3-7-22-11)20-15(17-10)18-14(19-20)12-5-2-6-21-12/h2-8,16H,9H2,1H3
InChIKeyMLWCLWRZNNEMLH-UHFFFAOYSA-N
XLogP3.37
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 20961786) is 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cccs2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MLWCLWRZNNEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-8-13(16-9-11-4-3-7-22-11)20-15(17-10)18-14(19-20)12-5-2-6-21-12/h2-8,16H,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).