3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine

C15H17N3O — CID 101436801

IUPAC3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
SMILESCOc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C15H17N3O/c1-19-13-6-4-12(5-7-13)14-8-9-15(17-16-14)18-10-2-3-11-18/h4-9H,2-3,10-11H2,1H3
InChIKeyBQMWXPMXOYWCDP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine

3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 101436801) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
PubChem CID101436801
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
SMILESCOc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C15H17N3O/c1-19-13-6-4-12(5-7-13)14-8-9-15(17-16-14)18-10-2-3-11-18/h4-9H,2-3,10-11H2,1H3
InChIKeyBQMWXPMXOYWCDP-UHFFFAOYSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
CID 108773106
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
1-(2,4-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992686
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine (CID 101436801) is 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine is COc1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is BQMWXPMXOYWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-13-6-4-12(5-7-13)14-8-9-15(17-16-14)18-10-2-3-11-18/h4-9H,2-3,10-11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine?
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 255.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 101436801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).