[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

C16H19N3O — CID 116972878

IUPAC[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1-c1ccc(N2CCCC2CO)nn1
InChIInChI=1S/C16H19N3O/c1-12-5-2-3-7-14(12)15-8-9-16(18-17-15)19-10-4-6-13(19)11-20/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3
InChIKeyQBGZCGBVKMWWPP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.41
Rot. Bonds3

About [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (PubChem CID 116972878) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
PubChem CID116972878
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1-c1ccc(N2CCCC2CO)nn1
InChIInChI=1S/C16H19N3O/c1-12-5-2-3-7-14(12)15-8-9-16(18-17-15)19-10-4-6-13(19)11-20/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3
InChIKeyQBGZCGBVKMWWPP-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (CID 116972878) is [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is Cc1ccccc1-c1ccc(N2CCCC2CO)nn1.
What is the InChIKey of [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QBGZCGBVKMWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-2-3-7-14(12)15-8-9-16(18-17-15)19-10-4-6-13(19)11-20/h2-3,5,7-9,13,20H,4,6,10-11H2,1H3.
What are the key properties of [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 116972878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).