N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide

C17H14N6O2S — CID 46885403

IUPACN-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
InChIKeyOCMKXBYNWNGRGY-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide

N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (PubChem CID 46885403) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
PubChem CID46885403
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
InChIKeyOCMKXBYNWNGRGY-UHFFFAOYSA-N
XLogP2.68
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (CID 46885403) is N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is CSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The InChIKey is OCMKXBYNWNGRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24).
What are the key properties of N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide has a molecular weight of 366.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 46885403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).