3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one

C12H17N5O — CID 139516399

IUPAC3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one
SMILESCCc1[nH]nc2nc(N3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C12H17N5O/c1-2-8-9-10(16-15-8)14-11(12(18)13-9)17-6-4-3-5-7-17/h2-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyWQGNCVSTDQBQLC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.20
Rot. Bonds2

About 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one

3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one (PubChem CID 139516399) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one
PubChem CID139516399
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one
SMILESCCc1[nH]nc2nc(N3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C12H17N5O/c1-2-8-9-10(16-15-8)14-11(12(18)13-9)17-6-4-3-5-7-17/h2-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyWQGNCVSTDQBQLC-UHFFFAOYSA-N
XLogP1.20
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one (CID 139516399) is 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one is CCc1[nH]nc2nc(N3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one?
The InChIKey is WQGNCVSTDQBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-8-9-10(16-15-8)14-11(12(18)13-9)17-6-4-3-5-7-17/h2-7H2,1H3,(H,13,18)(H,14,15,16).
What are the key properties of 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one?
3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperidin-1-yl-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 139516399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).