N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C15H14N4O3S — CID 7259328

IUPACN-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1cccn2c(=O)nc(SCC(=O)NCc3ccco3)nc12
InChIInChI=1S/C15H14N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyOJAUMSIUTCKEQP-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259328) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259328
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1cccn2c(=O)nc(SCC(=O)NCc3ccco3)nc12
InChIInChI=1S/C15H14N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyOJAUMSIUTCKEQP-UHFFFAOYSA-N
XLogP1.40
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259328) is N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1cccn2c(=O)nc(SCC(=O)NCc3ccco3)nc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is OJAUMSIUTCKEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 330.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).