N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C22H20FN5O3 — CID 95919353

IUPACN-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O
InChIInChI=1S/C22H20FN5O3/c1-2-26(14-16-6-4-3-5-7-16)19(29)15-28-22(30)27-13-12-24-21(20(27)25-28)31-18-10-8-17(23)9-11-18/h3-13H,2,14-15H2,1H3
InChIKeyAUZWGKPTOKDCMR-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.87
Rot. Bonds7

About N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 95919353) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
PubChem CID95919353
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC NameN-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O
InChIInChI=1S/C22H20FN5O3/c1-2-26(14-16-6-4-3-5-7-16)19(29)15-28-22(30)27-13-12-24-21(20(27)25-28)31-18-10-8-17(23)9-11-18/h3-13H,2,14-15H2,1H3
InChIKeyAUZWGKPTOKDCMR-UHFFFAOYSA-N
XLogP2.87
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-(3,5-dimethylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53141910
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 27040470
N-benzyl-N-ethyl-2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920712
N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 46397328
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N-(3-chloro-2-fluorophenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141859
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-(3-chloro-4-methylphenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141844
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 95919353) is N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is CCN(Cc1ccccc1)C(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The InChIKey is AUZWGKPTOKDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-2-26(14-16-6-4-3-5-7-16)19(29)15-28-22(30)27-13-12-24-21(20(27)25-28)31-18-10-8-17(23)9-11-18/h3-13H,2,14-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 95919353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).