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

C16H12F2N4O2S — CID 7256722

IUPACN-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)nc(=O)n2c1
InChIInChI=1S/C16H12F2N4O2S/c1-9-2-5-13-20-15(21-16(24)22(13)7-9)25-8-14(23)19-12-4-3-10(17)6-11(12)18/h2-7H,8H2,1H3,(H,19,23)
InChIKeyBOCSPYFUBPRGRD-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.41
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256722) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256722
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC NameN-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)nc(=O)n2c1
InChIInChI=1S/C16H12F2N4O2S/c1-9-2-5-13-20-15(21-16(24)22(13)7-9)25-8-14(23)19-12-4-3-10(17)6-11(12)18/h2-7H,8H2,1H3,(H,19,23)
InChIKeyBOCSPYFUBPRGRD-UHFFFAOYSA-N
XLogP2.41
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256722) is N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)nc(=O)n2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is BOCSPYFUBPRGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c1-9-2-5-13-20-15(21-16(24)22(13)7-9)25-8-14(23)19-12-4-3-10(17)6-11(12)18/h2-7H,8H2,1H3,(H,19,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 362.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).