5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one

C13H20N4O2 — CID 99965027

IUPAC5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCNC1
InChIInChI=1S/C13H20N4O2/c18-12-3-5-16(9-12)11-6-13(19)17(15-8-11)10-2-1-4-14-7-10/h6,8,10,12,14,18H,1-5,7,9H2/t10-,12-/m0/s1
InChIKeyDCAHDRLFEFNJPF-JQWIXIFHSA-N
MW264.33 g/mol
LogP-0.26
Rot. Bonds2

About 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one

5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one (PubChem CID 99965027) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
PubChem CID99965027
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCNC1
InChIInChI=1S/C13H20N4O2/c18-12-3-5-16(9-12)11-6-13(19)17(15-8-11)10-2-1-4-14-7-10/h6,8,10,12,14,18H,1-5,7,9H2/t10-,12-/m0/s1
InChIKeyDCAHDRLFEFNJPF-JQWIXIFHSA-N
XLogP-0.26
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one (CID 99965027) is 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one is O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCNC1.
What is the InChIKey of 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The InChIKey is DCAHDRLFEFNJPF-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12-3-5-16(9-12)11-6-13(19)17(15-8-11)10-2-1-4-14-7-10/h6,8,10,12,14,18H,1-5,7,9H2/t10-,12-/m0/s1.
What are the key properties of 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 99965027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).