1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol

C15H15N3O3 — CID 56770770

IUPAC1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)C1
InChIInChI=1S/C15H15N3O3/c19-11-5-6-18(8-11)15-4-2-12(16-17-15)10-1-3-13-14(7-10)21-9-20-13/h1-4,7,11,19H,5-6,8-9H2
InChIKeyUAFGTQZRUJVQCA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.44
Rot. Bonds2

About 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol

1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 56770770) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID56770770
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)C1
InChIInChI=1S/C15H15N3O3/c19-11-5-6-18(8-11)15-4-2-12(16-17-15)10-1-3-13-14(7-10)21-9-20-13/h1-4,7,11,19H,5-6,8-9H2
InChIKeyUAFGTQZRUJVQCA-UHFFFAOYSA-N
XLogP1.44
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
CID 77088330
1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972898
2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57443035
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055762
4-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 121059919
(E)-1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121059985
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol (CID 56770770) is 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol is OC1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)C1.
What is the InChIKey of 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is UAFGTQZRUJVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-11-5-6-18(8-11)15-4-2-12(16-17-15)10-1-3-13-14(7-10)21-9-20-13/h1-4,7,11,19H,5-6,8-9H2.
What are the key properties of 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol?
1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 285.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56770770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).