2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide

C16H20N8O2 — CID 166803168

IUPAC2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(N(C)C)nn12
InChIInChI=1S/C16H20N8O2/c1-10(2)15-21-23(8-14(25)19-12-5-6-17-9-18-12)16(26)11-7-13(22(3)4)20-24(11)15/h5-7,9-10H,8H2,1-4H3,(H,17,18,19,25)
InChIKeyWMKMGAKLPBLCFO-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide

2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide (PubChem CID 166803168) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
PubChem CID166803168
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(N(C)C)nn12
InChIInChI=1S/C16H20N8O2/c1-10(2)15-21-23(8-14(25)19-12-5-6-17-9-18-12)16(26)11-7-13(22(3)4)20-24(11)15/h5-7,9-10H,8H2,1-4H3,(H,17,18,19,25)
InChIKeyWMKMGAKLPBLCFO-UHFFFAOYSA-N
XLogP0.51
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide (CID 166803168) is 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide is CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(N(C)C)nn12.
What is the InChIKey of 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide?
The InChIKey is WMKMGAKLPBLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-10(2)15-21-23(8-14(25)19-12-5-6-17-9-18-12)16(26)11-7-13(22(3)4)20-24(11)15/h5-7,9-10H,8H2,1-4H3,(H,17,18,19,25).
What are the key properties of 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide?
2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide has a molecular weight of 356.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 166803168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).