2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H14N6O2S — CID 644942

IUPAC2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1
InChIInChI=1S/C17H14N6O2S/c24-15(18-9-13-7-4-8-26-13)11-22-17(25)14-10-19-23(16(14)20-21-22)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,24)
InChIKeyKVRKZNWMTURMLP-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 644942) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID644942
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1
InChIInChI=1S/C17H14N6O2S/c24-15(18-9-13-7-4-8-26-13)11-22-17(25)14-10-19-23(16(14)20-21-22)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,24)
InChIKeyKVRKZNWMTURMLP-UHFFFAOYSA-N
XLogP1.36
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 644942) is 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1.
What is the InChIKey of 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KVRKZNWMTURMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c24-15(18-9-13-7-4-8-26-13)11-22-17(25)14-10-19-23(16(14)20-21-22)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,24).
What are the key properties of 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 366.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 644942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).