1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

C16H18N6 — CID 84818538

IUPAC1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(Cn2ncc3c(N4CCNCC4)ncnc32)cc1
InChIInChI=1S/C16H18N6/c1-2-4-13(5-3-1)11-22-16-14(10-20-22)15(18-12-19-16)21-8-6-17-7-9-21/h1-5,10,12,17H,6-9,11H2
InChIKeyZWJTUNQCHZOXLZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.28
Rot. Bonds3

About 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 84818538) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID84818538
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(Cn2ncc3c(N4CCNCC4)ncnc32)cc1
InChIInChI=1S/C16H18N6/c1-2-4-13(5-3-1)11-22-16-14(10-20-22)15(18-12-19-16)21-8-6-17-7-9-21/h1-5,10,12,17H,6-9,11H2
InChIKeyZWJTUNQCHZOXLZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (CID 84818538) is 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is c1ccc(Cn2ncc3c(N4CCNCC4)ncnc32)cc1.
What is the InChIKey of 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZWJTUNQCHZOXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-4-13(5-3-1)11-22-16-14(10-20-22)15(18-12-19-16)21-8-6-17-7-9-21/h1-5,10,12,17H,6-9,11H2.
What are the key properties of 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 84818538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).