6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H15N5OS — CID 46263245

IUPAC6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(NCc3cccs3)[nH]n2c1=O
InChIInChI=1S/C13H15N5OS/c1-3-10-8(2)15-13-16-12(17-18(13)11(10)19)14-7-9-5-4-6-20-9/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWPSYEPQRKQWUJJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.96
Rot. Bonds4

About 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 46263245) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID46263245
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(NCc3cccs3)[nH]n2c1=O
InChIInChI=1S/C13H15N5OS/c1-3-10-8(2)15-13-16-12(17-18(13)11(10)19)14-7-9-5-4-6-20-9/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWPSYEPQRKQWUJJ-UHFFFAOYSA-N
XLogP1.96
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 46263245) is 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2nc(NCc3cccs3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WPSYEPQRKQWUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-3-10-8(2)15-13-16-12(17-18(13)11(10)19)14-7-9-5-4-6-20-9/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 289.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46263245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).