N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide

C11H16N4O2S — CID 23605473

IUPACN-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1cn[nH]c(=O)n1)NC1CCCCC1
InChIInChI=1S/C11H16N4O2S/c16-9(13-8-4-2-1-3-5-8)7-18-10-6-12-15-11(17)14-10/h6,8H,1-5,7H2,(H,13,16)(H,14,15,17)
InChIKeyIYZIALUYUZGKAZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.71
Rot. Bonds4

About N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (PubChem CID 23605473) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
PubChem CID23605473
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1cn[nH]c(=O)n1)NC1CCCCC1
InChIInChI=1S/C11H16N4O2S/c16-9(13-8-4-2-1-3-5-8)7-18-10-6-12-15-11(17)14-10/h6,8H,1-5,7H2,(H,13,16)(H,14,15,17)
InChIKeyIYZIALUYUZGKAZ-UHFFFAOYSA-N
XLogP0.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
N-cyclooctyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18141239
2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300302
N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365001
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclohexyl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16587682
N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467421
methyl 4-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 38839300
N-cyclohexyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135773967
N-cyclohexyl-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919214

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (CID 23605473) is N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is O=C(CSc1cn[nH]c(=O)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The InChIKey is IYZIALUYUZGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c16-9(13-8-4-2-1-3-5-8)7-18-10-6-12-15-11(17)14-10/h6,8H,1-5,7H2,(H,13,16)(H,14,15,17).
What are the key properties of N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 23605473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).