[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol

C9H13N3O — CID 54377433

IUPAC[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC(c2cccnn2)CN1
InChIInChI=1S/C9H13N3O/c13-6-8-4-7(5-10-8)9-2-1-3-11-12-9/h1-3,7-8,10,13H,4-6H2/t7?,8-/m1/s1
InChIKeyTWZOLGNQGLLZDC-BRFYHDHCSA-N
MW179.22 g/mol
LogP-0.09
Rot. Bonds2

About [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol

[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol (PubChem CID 54377433) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol
PubChem CID54377433
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC(c2cccnn2)CN1
InChIInChI=1S/C9H13N3O/c13-6-8-4-7(5-10-8)9-2-1-3-11-12-9/h1-3,7-8,10,13H,4-6H2/t7?,8-/m1/s1
InChIKeyTWZOLGNQGLLZDC-BRFYHDHCSA-N
XLogP-0.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol (CID 54377433) is [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol is OC[C@H]1CC(c2cccnn2)CN1.
What is the InChIKey of [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol?
The InChIKey is TWZOLGNQGLLZDC-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H13N3O/c13-6-8-4-7(5-10-8)9-2-1-3-11-12-9/h1-3,7-8,10,13H,4-6H2/t7?,8-/m1/s1.
What are the key properties of [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol?
[(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-pyridazin-3-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 54377433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).