1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine

C11H15N5 — CID 66509746

IUPAC1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCNCC2)c2nccnc21
InChIInChI=1S/C11H15N5/c1-16-11-10(13-6-7-14-11)9(15-16)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyPKZPIVPGXFVPGN-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.83
Rot. Bonds1

About 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine

1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine (PubChem CID 66509746) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
PubChem CID66509746
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCNCC2)c2nccnc21
InChIInChI=1S/C11H15N5/c1-16-11-10(13-6-7-14-11)9(15-16)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyPKZPIVPGXFVPGN-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine (CID 66509746) is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine is Cn1nc(C2CCNCC2)c2nccnc21.
What is the InChIKey of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is PKZPIVPGXFVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-11-10(13-6-7-14-11)9(15-16)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine?
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 217.28 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 66509746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).