2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide

C15H16N6O2 — CID 75537822

IUPAC2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
SMILESCCn1nc(C)c2nnn(CC(=O)Nc3ccccc3)c(=O)c21
InChIInChI=1S/C15H16N6O2/c1-3-20-14-13(10(2)18-20)17-19-21(15(14)23)9-12(22)16-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,22)
InChIKeyKFKUROKBUGVENW-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.96
Rot. Bonds4

About 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide

2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide (PubChem CID 75537822) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
PubChem CID75537822
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
SMILESCCn1nc(C)c2nnn(CC(=O)Nc3ccccc3)c(=O)c21
InChIInChI=1S/C15H16N6O2/c1-3-20-14-13(10(2)18-20)17-19-21(15(14)23)9-12(22)16-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,22)
InChIKeyKFKUROKBUGVENW-UHFFFAOYSA-N
XLogP0.96
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one
CID 75537806
2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 7159357
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(4-methylphenyl)acetamide
CID 7111071
2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
CID 166474091
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-phenylacetamide
CID 16846801
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 39890776
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(4-ethoxyphenyl)acetamide
CID 20919585
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43936078
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
CID 6487805
methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate
CID 4610938
1-(2-anilino-2-oxoethyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 75528046

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide (CID 75537822) is 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide is CCn1nc(C)c2nnn(CC(=O)Nc3ccccc3)c(=O)c21.
What is the InChIKey of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide?
The InChIKey is KFKUROKBUGVENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-20-14-13(10(2)18-20)17-19-21(15(14)23)9-12(22)16-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,22).
What are the key properties of 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide?
2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide has a molecular weight of 312.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 75537822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).