6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C20H22N6O — CID 71462197

IUPAC6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCOc1cccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c1
InChIInChI=1S/C20H22N6O/c1-15-13-18(16-5-3-6-17(14-16)27-2)23-24-19(15)25-9-11-26(12-10-25)20-21-7-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyGSZJLWIXDWRUPC-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.58
Rot. Bonds4

About 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 71462197) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID71462197
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCOc1cccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c1
InChIInChI=1S/C20H22N6O/c1-15-13-18(16-5-3-6-17(14-16)27-2)23-24-19(15)25-9-11-26(12-10-25)20-21-7-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyGSZJLWIXDWRUPC-UHFFFAOYSA-N
XLogP2.58
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 71462197) is 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is COc1cccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is GSZJLWIXDWRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-13-18(16-5-3-6-17(14-16)27-2)23-24-19(15)25-9-11-26(12-10-25)20-21-7-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 362.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 71462197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).