N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide

C11H9N7O — CID 21495095

IUPACN-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide
SMILESCC(=O)Nc1ncnc2c(-c3ccncn3)cnn12
InChIInChI=1S/C11H9N7O/c1-7(19)17-11-15-6-14-10-8(4-16-18(10)11)9-2-3-12-5-13-9/h2-6H,1H3,(H,14,15,17,19)
InChIKeySVRJLMAHCAEIQL-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.54
Rot. Bonds2

About N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide

N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide (PubChem CID 21495095) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide
PubChem CID21495095
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide
SMILESCC(=O)Nc1ncnc2c(-c3ccncn3)cnn12
InChIInChI=1S/C11H9N7O/c1-7(19)17-11-15-6-14-10-8(4-16-18(10)11)9-2-3-12-5-13-9/h2-6H,1H3,(H,14,15,17,19)
InChIKeySVRJLMAHCAEIQL-UHFFFAOYSA-N
XLogP0.54
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
CID 153239153
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide
CID 23932539
methyl 4-fluoro-2-pyrimidin-4-ylbenzoate
CID 155344019
5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
CID 21495087
1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
CID 141403325
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
4-(4-iodo-3-pyridinyl)pyrimidine
CID 147379627
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
methyl 2-pyrimidin-4-yl-1H-imidazole-5-carboxylate
CID 63989948

Frequently Asked Questions

What is the IUPAC name of N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide?
The IUPAC name of N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide (CID 21495095) is N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide.
What is the SMILES notation for N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide?
The canonical SMILES for N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide is CC(=O)Nc1ncnc2c(-c3ccncn3)cnn12.
What is the InChIKey of N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide?
The InChIKey is SVRJLMAHCAEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O/c1-7(19)17-11-15-6-14-10-8(4-16-18(10)11)9-2-3-12-5-13-9/h2-6H,1H3,(H,14,15,17,19).
What are the key properties of N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide?
N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide is sourced from PubChem (CID 21495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).