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

C8H11N3O — CID 124676122

IUPAC(3S)-1-pyridazin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccnnc2)C1
InChIInChI=1S/C8H11N3O/c12-8-2-4-11(6-8)7-1-3-9-10-5-7/h1,3,5,8,12H,2,4,6H2/t8-/m0/s1
InChIKeyDVMYRQWBMSHRLM-QMMMGPOBSA-N
MW165.20 g/mol
LogP0.05
Rot. Bonds1

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

(3S)-1-pyridazin-4-ylpyrrolidin-3-ol (PubChem CID 124676122) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (3S)-1-pyridazin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-pyridazin-4-ylpyrrolidin-3-ol
PubChem CID124676122
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(3S)-1-pyridazin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccnnc2)C1
InChIInChI=1S/C8H11N3O/c12-8-2-4-11(6-8)7-1-3-9-10-5-7/h1,3,5,8,12H,2,4,6H2/t8-/m0/s1
InChIKeyDVMYRQWBMSHRLM-QMMMGPOBSA-N
XLogP0.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.05
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-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-pyridazin-4-ylpyrrolidin-3-ol (CID 124676122) is (3S)-1-pyridazin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-pyridazin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-pyridazin-4-ylpyrrolidin-3-ol is O[C@H]1CCN(c2ccnnc2)C1.
What is the InChIKey of (3S)-1-pyridazin-4-ylpyrrolidin-3-ol?
The InChIKey is DVMYRQWBMSHRLM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-2-4-11(6-8)7-1-3-9-10-5-7/h1,3,5,8,12H,2,4,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-pyridazin-4-ylpyrrolidin-3-ol?
(3S)-1-pyridazin-4-ylpyrrolidin-3-ol has a molecular weight of 165.20 g/mol, XLogP of 0.05, 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-ylpyrrolidin-3-ol is sourced from PubChem (CID 124676122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).