2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C17H21N5O4 — CID 75528588

IUPAC2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN1CCn2c(nn(CC(=O)NCc3ccc(OC)cc3)c2=O)C1=O
InChIInChI=1S/C17H21N5O4/c1-3-20-8-9-21-15(16(20)24)19-22(17(21)25)11-14(23)18-10-12-4-6-13(26-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,23)
InChIKeyDNAAIWHONBGMMA-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.15
Rot. Bonds6

About 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 75528588) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID75528588
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN1CCn2c(nn(CC(=O)NCc3ccc(OC)cc3)c2=O)C1=O
InChIInChI=1S/C17H21N5O4/c1-3-20-8-9-21-15(16(20)24)19-22(17(21)25)11-14(23)18-10-12-4-6-13(26-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,23)
InChIKeyDNAAIWHONBGMMA-UHFFFAOYSA-N
XLogP-0.15
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 75528590
N-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 75528606
N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528744
2-[7-[(2,5-dimethylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 166604036
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(2-methylphenyl)acetamide
CID 122172291
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51138501
N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948860
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 91972605
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7772207
N-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831344
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 75528588) is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is CCN1CCn2c(nn(CC(=O)NCc3ccc(OC)cc3)c2=O)C1=O.
What is the InChIKey of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DNAAIWHONBGMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-20-8-9-21-15(16(20)24)19-22(17(21)25)11-14(23)18-10-12-4-6-13(26-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,23).
What are the key properties of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75528588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).