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

C19H14N4O2S — CID 7256609

IUPACN-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N4O2S/c24-17(20-15-9-5-7-13-6-1-2-8-14(13)15)12-26-18-21-16-10-3-4-11-23(16)19(25)22-18/h1-11H,12H2,(H,20,24)
InChIKeyYOFRKSLQFQBDSE-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.97
Rot. Bonds4

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

N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256609) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256609
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N4O2S/c24-17(20-15-9-5-7-13-6-1-2-8-14(13)15)12-26-18-21-16-10-3-4-11-23(16)19(25)22-18/h1-11H,12H2,(H,20,24)
InChIKeyYOFRKSLQFQBDSE-UHFFFAOYSA-N
XLogP2.97
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256609) is N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is O=C(CSc1nc(=O)n2ccccc2n1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is YOFRKSLQFQBDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-17(20-15-9-5-7-13-6-1-2-8-14(13)15)12-26-18-21-16-10-3-4-11-23(16)19(25)22-18/h1-11H,12H2,(H,20,24).
What are the key properties of N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 362.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).