[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol

C9H11N3O — CID 130735742

IUPAC[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CC=CC2)nn1
InChIInChI=1S/C9H11N3O/c13-7-8-3-4-9(11-10-8)12-5-1-2-6-12/h1-4,13H,5-7H2
InChIKeyUZTHYEWCIODVGS-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.35
Rot. Bonds2

About [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol

[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol (PubChem CID 130735742) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
PubChem CID130735742
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CC=CC2)nn1
InChIInChI=1S/C9H11N3O/c13-7-8-3-4-9(11-10-8)12-5-1-2-6-12/h1-4,13H,5-7H2
InChIKeyUZTHYEWCIODVGS-UHFFFAOYSA-N
XLogP0.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol (CID 130735742) is [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol is OCc1ccc(N2CC=CC2)nn1.
What is the InChIKey of [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol?
The InChIKey is UZTHYEWCIODVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-7-8-3-4-9(11-10-8)12-5-1-2-6-12/h1-4,13H,5-7H2.
What are the key properties of [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol?
[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol has a molecular weight of 177.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 130735742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).