3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine

C20H22N6 — CID 108773558

IUPAC3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(C)ncn4)CC3)nn2)cc1
InChIInChI=1S/C20H22N6/c1-15-3-5-17(6-4-15)18-7-8-19(24-23-18)25-9-11-26(12-10-25)20-13-16(2)21-14-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNPIQZLSXVRYQCJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine

3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine (PubChem CID 108773558) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
PubChem CID108773558
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(C)ncn4)CC3)nn2)cc1
InChIInChI=1S/C20H22N6/c1-15-3-5-17(6-4-15)18-7-8-19(24-23-18)25-9-11-26(12-10-25)20-13-16(2)21-14-22-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNPIQZLSXVRYQCJ-UHFFFAOYSA-N
XLogP2.88
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine (CID 108773558) is 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine is Cc1ccc(-c2ccc(N3CCN(c4cc(C)ncn4)CC3)nn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The InChIKey is NPIQZLSXVRYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-15-3-5-17(6-4-15)18-7-8-19(24-23-18)25-9-11-26(12-10-25)20-13-16(2)21-14-22-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine has a molecular weight of 346.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 108773558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).