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

C18H23N5O5 — CID 75528606

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCN1CCn2c(nn(CC(=O)NCc3cccc(OC)c3OC)c2=O)C1=O
InChIInChI=1S/C18H23N5O5/c1-4-21-8-9-22-16(17(21)25)20-23(18(22)26)11-14(24)19-10-12-6-5-7-13(27-2)15(12)28-3/h5-7H,4,8-11H2,1-3H3,(H,19,24)
InChIKeyZWDZIZRNVJTTNZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP-0.15
Rot. Bonds7

About 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

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 (PubChem CID 75528606) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID75528606
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCN1CCn2c(nn(CC(=O)NCc3cccc(OC)c3OC)c2=O)C1=O
InChIInChI=1S/C18H23N5O5/c1-4-21-8-9-22-16(17(21)25)20-23(18(22)26)11-14(24)19-10-12-6-5-7-13(27-2)15(12)28-3/h5-7H,4,8-11H2,1-3H3,(H,19,24)
InChIKeyZWDZIZRNVJTTNZ-UHFFFAOYSA-N
XLogP-0.15
TPSA107.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
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
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-[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
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
ethyl 4-[N-[(2,3-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164128
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-[(13R)-13-methyl-5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl]acetamide
CID 95071905
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953502
N-[(2,3-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55583480

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCn2c(nn(CC(=O)NCc3cccc(OC)c3OC)c2=O)C1=O.
What is the InChIKey of 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?
The InChIKey is ZWDZIZRNVJTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-4-21-8-9-22-16(17(21)25)20-23(18(22)26)11-14(24)19-10-12-6-5-7-13(27-2)15(12)28-3/h5-7H,4,8-11H2,1-3H3,(H,19,24).
What are the key properties of 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?
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 has a molecular weight of 389.41 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 75528606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).