2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide

C16H18N6O3 — CID 39890776

IUPAC2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1
InChIInChI=1S/C16H18N6O3/c1-4-25-12-7-5-11(6-8-12)17-13(23)9-22-16(24)15-14(18-20-22)10(2)21(3)19-15/h5-8H,4,9H2,1-3H3,(H,17,23)
InChIKeyDEQLFQJKKNMIRO-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.87
Rot. Bonds5

About 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide

2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 39890776) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID39890776
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1
InChIInChI=1S/C16H18N6O3/c1-4-25-12-7-5-11(6-8-12)17-13(23)9-22-16(24)15-14(18-20-22)10(2)21(3)19-15/h5-8H,4,9H2,1-3H3,(H,17,23)
InChIKeyDEQLFQJKKNMIRO-UHFFFAOYSA-N
XLogP0.87
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide
CID 39890937
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide
CID 39890812
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(4-ethoxyphenyl)acetamide
CID 20919585
N-(4-ethoxyphenyl)-2-[3-[(2-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030094
N-(4-ethoxyphenyl)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53365804
N-(4-ethoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869428
N-(4-ethoxyphenyl)-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16905952
5-amino-N-(4-ethoxyphenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853622
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-5-methyl-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazole-4-carboxamide
CID 53335389
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide (CID 39890776) is 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1.
What is the InChIKey of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is DEQLFQJKKNMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-4-25-12-7-5-11(6-8-12)17-13(23)9-22-16(24)15-14(18-20-22)10(2)21(3)19-15/h5-8H,4,9H2,1-3H3,(H,17,23).
What are the key properties of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 39890776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).