3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine

C13H19N5 — CID 110089991

IUPAC3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
SMILESCCN1CCC(c2nn(C)c3nccnc23)CC1
InChIInChI=1S/C13H19N5/c1-3-18-8-4-10(5-9-18)11-12-13(17(2)16-11)15-7-6-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNXYWSNHSSGOLRK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.56
Rot. Bonds2

About 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine

3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine (PubChem CID 110089991) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
PubChem CID110089991
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
SMILESCCN1CCC(c2nn(C)c3nccnc23)CC1
InChIInChI=1S/C13H19N5/c1-3-18-8-4-10(5-9-18)11-12-13(17(2)16-11)15-7-6-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNXYWSNHSSGOLRK-UHFFFAOYSA-N
XLogP1.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine (CID 110089991) is 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine is CCN1CCC(c2nn(C)c3nccnc23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is NXYWSNHSSGOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-18-8-4-10(5-9-18)11-12-13(17(2)16-11)15-7-6-14-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine?
3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 245.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110089991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).