1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol

C15H17N3O — CID 56770780

IUPAC1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1cccc(-c2ccc(N3CCC(O)C3)nn2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)14-5-6-15(17-16-14)18-8-7-13(19)10-18/h2-6,9,13,19H,7-8,10H2,1H3
InChIKeyZWULLGGBHHEUFQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol

1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 56770780) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID56770780
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1cccc(-c2ccc(N3CCC(O)C3)nn2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)14-5-6-15(17-16-14)18-8-7-13(19)10-18/h2-6,9,13,19H,7-8,10H2,1H3
InChIKeyZWULLGGBHHEUFQ-UHFFFAOYSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 116972855
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770770
1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972898
(1R,5R)-3-[6-(3-methylphenyl)pyridazin-3-yl]-3,6-diazabicyclo[3.2.0]heptane
CID 57467058
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol (CID 56770780) is 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol is Cc1cccc(-c2ccc(N3CCC(O)C3)nn2)c1.
What is the InChIKey of 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is ZWULLGGBHHEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)14-5-6-15(17-16-14)18-8-7-13(19)10-18/h2-6,9,13,19H,7-8,10H2,1H3.
What are the key properties of 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol?
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 255.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56770780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).