2-pyridazin-3-ylpyrrolidin-3-ol

C8H11N3O — CID 82414605

IUPAC2-pyridazin-3-ylpyrrolidin-3-ol
SMILESOC1CCNC1c1cccnn1
InChIInChI=1S/C8H11N3O/c12-7-3-5-9-8(7)6-2-1-4-10-11-6/h1-2,4,7-9,12H,3,5H2
InChIKeyNEVFIVDXTJKIEP-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.13
Rot. Bonds1

About 2-pyridazin-3-ylpyrrolidin-3-ol

2-pyridazin-3-ylpyrrolidin-3-ol (PubChem CID 82414605) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyridazin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-pyridazin-3-ylpyrrolidin-3-ol
PubChem CID82414605
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyridazin-3-ylpyrrolidin-3-ol
SMILESOC1CCNC1c1cccnn1
InChIInChI=1S/C8H11N3O/c12-7-3-5-9-8(7)6-2-1-4-10-11-6/h1-2,4,7-9,12H,3,5H2
InChIKeyNEVFIVDXTJKIEP-UHFFFAOYSA-N
XLogP-0.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylpyrrolidin-3-ol?
The IUPAC name of 2-pyridazin-3-ylpyrrolidin-3-ol (CID 82414605) is 2-pyridazin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for 2-pyridazin-3-ylpyrrolidin-3-ol?
The canonical SMILES for 2-pyridazin-3-ylpyrrolidin-3-ol is OC1CCNC1c1cccnn1.
What is the InChIKey of 2-pyridazin-3-ylpyrrolidin-3-ol?
The InChIKey is NEVFIVDXTJKIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-7-3-5-9-8(7)6-2-1-4-10-11-6/h1-2,4,7-9,12H,3,5H2.
What are the key properties of 2-pyridazin-3-ylpyrrolidin-3-ol?
2-pyridazin-3-ylpyrrolidin-3-ol has a molecular weight of 165.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 82414605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).