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

C19H19FN6 — CID 71460488

IUPAC6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(-c2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19FN6/c1-14-13-17(15-3-5-16(20)6-4-15)23-24-18(14)25-9-11-26(12-10-25)19-21-7-2-8-22-19/h2-8,13H,9-12H2,1H3
InChIKeyJSVKLRKYAQXULR-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.71
Rot. Bonds3

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

6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 71460488) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID71460488
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(-c2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19FN6/c1-14-13-17(15-3-5-16(20)6-4-15)23-24-18(14)25-9-11-26(12-10-25)19-21-7-2-8-22-19/h2-8,13H,9-12H2,1H3
InChIKeyJSVKLRKYAQXULR-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 71460488) is 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is Cc1cc(-c2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is JSVKLRKYAQXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-14-13-17(15-3-5-16(20)6-4-15)23-24-18(14)25-9-11-26(12-10-25)19-21-7-2-8-22-19/h2-8,13H,9-12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 350.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 71460488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).