N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C16H13FN4O2S — CID 7256721

IUPACN-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)nc(=O)n2c1
InChIInChI=1S/C16H13FN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22)
InChIKeyNPMVEMZYLPRZAP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.27
Rot. Bonds4

About N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256721) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256721
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC NameN-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)nc(=O)n2c1
InChIInChI=1S/C16H13FN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22)
InChIKeyNPMVEMZYLPRZAP-UHFFFAOYSA-N
XLogP2.27
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256721) is N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)nc(=O)n2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is NPMVEMZYLPRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22).
What are the key properties of N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 344.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).