N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C17H19N5O4S — CID 119102504

IUPACN-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1
InChIInChI=1S/C17H19N5O4S/c1-11(2)27(25,26)13-5-3-12(4-6-13)9-15(23)19-10-14-20-21-16-17(24)18-7-8-22(14)16/h3-8,11H,9-10H2,1-2H3,(H,18,24)(H,19,23)
InChIKeySTKAKGOBAVPYRG-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.46
Rot. Bonds6

About N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 119102504) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID119102504
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1
InChIInChI=1S/C17H19N5O4S/c1-11(2)27(25,26)13-5-3-12(4-6-13)9-15(23)19-10-14-20-21-16-17(24)18-7-8-22(14)16/h3-8,11H,9-10H2,1-2H3,(H,18,24)(H,19,23)
InChIKeySTKAKGOBAVPYRG-UHFFFAOYSA-N
XLogP0.46
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
5-ethyl-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 154785629
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
(Z)-N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 121181630
2-methylpropyl N-[3-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methylamino]phenyl]carbamate
CID 167853037
N-[(4-oxo-3-prop-2-ynylphthalazin-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121049017
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122317839
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 71808427
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 84599696
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838342

Frequently Asked Questions

What is the IUPAC name of N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 119102504) is N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1.
What is the InChIKey of N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is STKAKGOBAVPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11(2)27(25,26)13-5-3-12(4-6-13)9-15(23)19-10-14-20-21-16-17(24)18-7-8-22(14)16/h3-8,11H,9-10H2,1-2H3,(H,18,24)(H,19,23).
What are the key properties of N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 389.44 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 119102504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).