(3S)-1-pyridazin-4-ylpiperidin-3-ol

C9H13N3O — CID 124676120

IUPAC(3S)-1-pyridazin-4-ylpiperidin-3-ol
SMILESO[C@H]1CCCN(c2ccnnc2)C1
InChIInChI=1S/C9H13N3O/c13-9-2-1-5-12(7-9)8-3-4-10-11-6-8/h3-4,6,9,13H,1-2,5,7H2/t9-/m0/s1
InChIKeyNCIMGPGEOYNXJI-VIFPVBQESA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds1

About (3S)-1-pyridazin-4-ylpiperidin-3-ol

(3S)-1-pyridazin-4-ylpiperidin-3-ol (PubChem CID 124676120) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3S)-1-pyridazin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-pyridazin-4-ylpiperidin-3-ol
PubChem CID124676120
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3S)-1-pyridazin-4-ylpiperidin-3-ol
SMILESO[C@H]1CCCN(c2ccnnc2)C1
InChIInChI=1S/C9H13N3O/c13-9-2-1-5-12(7-9)8-3-4-10-11-6-8/h3-4,6,9,13H,1-2,5,7H2/t9-/m0/s1
InChIKeyNCIMGPGEOYNXJI-VIFPVBQESA-N
XLogP0.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridazin-4-ylpiperidin-3-ol?
The IUPAC name of (3S)-1-pyridazin-4-ylpiperidin-3-ol (CID 124676120) is (3S)-1-pyridazin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-pyridazin-4-ylpiperidin-3-ol?
The canonical SMILES for (3S)-1-pyridazin-4-ylpiperidin-3-ol is O[C@H]1CCCN(c2ccnnc2)C1.
What is the InChIKey of (3S)-1-pyridazin-4-ylpiperidin-3-ol?
The InChIKey is NCIMGPGEOYNXJI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-2-1-5-12(7-9)8-3-4-10-11-6-8/h3-4,6,9,13H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (3S)-1-pyridazin-4-ylpiperidin-3-ol?
(3S)-1-pyridazin-4-ylpiperidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridazin-4-ylpiperidin-3-ol is sourced from PubChem (CID 124676120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).