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

C16H20N4O2S — CID 18573490

IUPACN-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3)nc(=O)n2c1
InChIInChI=1S/C16H20N4O2S/c1-11-7-8-13-18-15(19-16(22)20(13)9-11)23-10-14(21)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,21)
InChIKeyNZEFERHOWYNVRI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.94
Rot. Bonds4

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

N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 18573490) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID18573490
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3)nc(=O)n2c1
InChIInChI=1S/C16H20N4O2S/c1-11-7-8-13-18-15(19-16(22)20(13)9-11)23-10-14(21)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,21)
InChIKeyNZEFERHOWYNVRI-UHFFFAOYSA-N
XLogP1.94
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256646
2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7259023
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 6407540
ethyl 2-[[2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 18573494
N-cyclohexyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 3238547
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 135516933
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 18573490) is N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)NC3CCCCC3)nc(=O)n2c1.
What is the InChIKey of N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is NZEFERHOWYNVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-7-8-13-18-15(19-16(22)20(13)9-11)23-10-14(21)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 18573490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).