N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide

C17H27N5O3S — CID 136553878

IUPACN-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSCC(=O)N1CCn2nnc(CO)c2C1)C1CCCCC1
InChIInChI=1S/C17H27N5O3S/c1-20(13-5-3-2-4-6-13)16(24)11-26-12-17(25)21-7-8-22-15(9-21)14(10-23)18-19-22/h13,23H,2-12H2,1H3
InChIKeyFTMWDQIDUXGPTD-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.64
Rot. Bonds6

About N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide

N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 136553878) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide
PubChem CID136553878
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC NameN-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSCC(=O)N1CCn2nnc(CO)c2C1)C1CCCCC1
InChIInChI=1S/C17H27N5O3S/c1-20(13-5-3-2-4-6-13)16(24)11-26-12-17(25)21-7-8-22-15(9-21)14(10-23)18-19-22/h13,23H,2-12H2,1H3
InChIKeyFTMWDQIDUXGPTD-UHFFFAOYSA-N
XLogP0.64
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide with MolForge

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Related Compounds

2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120806844
(E)-3-(4-chlorophenyl)-1-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 122141527
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-propyltriazole-4-carboxylic acid
CID 94942250
N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
CID 28632690
2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
CID 18076947
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
CID 78786626
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 78765069
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739333

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide (CID 136553878) is N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide is CN(C(=O)CSCC(=O)N1CCn2nnc(CO)c2C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide?
The InChIKey is FTMWDQIDUXGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-20(13-5-3-2-4-6-13)16(24)11-26-12-17(25)21-7-8-22-15(9-21)14(10-23)18-19-22/h13,23H,2-12H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide?
N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 381.50 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 136553878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).