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

C15H18N4O2S — CID 7256646

IUPACN-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C15H18N4O2S/c20-13(16-11-6-2-1-3-7-11)10-22-14-17-12-8-4-5-9-19(12)15(21)18-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,20)
InChIKeyHTRCHODRYCYJTE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.63
Rot. Bonds4

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

N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256646) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256646
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C15H18N4O2S/c20-13(16-11-6-2-1-3-7-11)10-22-14-17-12-8-4-5-9-19(12)15(21)18-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,20)
InChIKeyHTRCHODRYCYJTE-UHFFFAOYSA-N
XLogP1.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 18573490
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256602
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 135516933
2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 2767301
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
CID 53036661

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256646) is N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is O=C(CSc1nc(=O)n2ccccc2n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is HTRCHODRYCYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-13(16-11-6-2-1-3-7-11)10-22-14-17-12-8-4-5-9-19(12)15(21)18-14/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,20).
What are the key properties of N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 318.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).