3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine

C16H19N3O2 — CID 108773106

IUPAC3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
SMILESCOc1ccc(-c2ccc(N3CCC(OC)C3)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-3-12(4-6-13)15-7-8-16(18-17-15)19-10-9-14(11-19)21-2/h3-8,14H,9-11H2,1-2H3
InChIKeyAIZJSLYMBVKILH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine

3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine (PubChem CID 108773106) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
PubChem CID108773106
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
SMILESCOc1ccc(-c2ccc(N3CCC(OC)C3)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-3-12(4-6-13)15-7-8-16(18-17-15)19-10-9-14(11-19)21-2/h3-8,14H,9-11H2,1-2H3
InChIKeyAIZJSLYMBVKILH-UHFFFAOYSA-N
XLogP2.38
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine (CID 108773106) is 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine is COc1ccc(-c2ccc(N3CCC(OC)C3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine?
The InChIKey is AIZJSLYMBVKILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-13-5-3-12(4-6-13)15-7-8-16(18-17-15)19-10-9-14(11-19)21-2/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine?
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine has a molecular weight of 285.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine is sourced from PubChem (CID 108773106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).