6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine

C13H14N8 — CID 146038817

IUPAC6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
SMILESc1cnc(N2CCN(c3ncc4cn[nH]c4n3)CC2)cn1
InChIInChI=1S/C13H14N8/c1-2-15-11(9-14-1)20-3-5-21(6-4-20)13-16-7-10-8-17-19-12(10)18-13/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyKXULMQATTSCAOG-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.47
Rot. Bonds2

About 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine

6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 146038817) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID146038817
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
SMILESc1cnc(N2CCN(c3ncc4cn[nH]c4n3)CC2)cn1
InChIInChI=1S/C13H14N8/c1-2-15-11(9-14-1)20-3-5-21(6-4-20)13-16-7-10-8-17-19-12(10)18-13/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyKXULMQATTSCAOG-UHFFFAOYSA-N
XLogP0.47
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-3-ol
CID 162371074
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
4-pyrazin-2-ylthiomorpholine
CID 131156249
4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol
CID 154570313
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 4584167
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (CID 146038817) is 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is c1cnc(N2CCN(c3ncc4cn[nH]c4n3)CC2)cn1.
What is the InChIKey of 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is KXULMQATTSCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-2-15-11(9-14-1)20-3-5-21(6-4-20)13-16-7-10-8-17-19-12(10)18-13/h1-2,7-9H,3-6H2,(H,16,17,18,19).
What are the key properties of 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine?
6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 282.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrazin-2-ylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 146038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).