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

C16H19N3O — CID 116972855

IUPAC[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(-c2ccc(N3CCC(CO)C3)nn2)c1
InChIInChI=1S/C16H19N3O/c1-12-3-2-4-14(9-12)15-5-6-16(18-17-15)19-8-7-13(10-19)11-20/h2-6,9,13,20H,7-8,10-11H2,1H3
InChIKeyRUNIZOXRGNPENB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds3

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

[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol (PubChem CID 116972855) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
PubChem CID116972855
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(-c2ccc(N3CCC(CO)C3)nn2)c1
InChIInChI=1S/C16H19N3O/c1-12-3-2-4-14(9-12)15-5-6-16(18-17-15)19-8-7-13(10-19)11-20/h2-6,9,13,20H,7-8,10-11H2,1H3
InChIKeyRUNIZOXRGNPENB-UHFFFAOYSA-N
XLogP2.27
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
(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
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
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
(1R,5R)-3-[6-(3-methylphenyl)pyridazin-3-yl]-3,6-diazabicyclo[3.2.0]heptane
CID 57467058
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 53025138

Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol (CID 116972855) is [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol is Cc1cccc(-c2ccc(N3CCC(CO)C3)nn2)c1.
What is the InChIKey of [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The InChIKey is RUNIZOXRGNPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-3-2-4-14(9-12)15-5-6-16(18-17-15)19-8-7-13(10-19)11-20/h2-6,9,13,20H,7-8,10-11H2,1H3.
What are the key properties of [1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.27, 3 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-yl]methanol is sourced from PubChem (CID 116972855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).