3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine

C16H20N4O — CID 71528509

IUPAC3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCOc1ccccc1-c1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-19-9-11-20(12-10-19)16-8-7-14(17-18-16)13-5-3-4-6-15(13)21-2/h3-8H,9-12H2,1-2H3
InChIKeyHBIDTAYVYJMLBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine

3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 71528509) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine
PubChem CID71528509
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCOc1ccccc1-c1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-19-9-11-20(12-10-19)16-8-7-14(17-18-16)13-5-3-4-6-15(13)21-2/h3-8H,9-12H2,1-2H3
InChIKeyHBIDTAYVYJMLBN-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine (CID 71528509) is 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine is COc1ccccc1-c1ccc(N2CCN(C)CC2)nn1.
What is the InChIKey of 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is HBIDTAYVYJMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-9-11-20(12-10-19)16-8-7-14(17-18-16)13-5-3-4-6-15(13)21-2/h3-8H,9-12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine?
3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 284.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 71528509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).