4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine

C20H19F3N6 — CID 71456809

IUPAC4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19F3N6/c1-14-13-17(15-3-5-16(6-4-15)20(21,22)23)26-27-18(14)28-9-11-29(12-10-28)19-24-7-2-8-25-19/h2-8,13H,9-12H2,1H3
InChIKeyAJOJMYYGNCORHX-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine

4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 71456809) has the molecular formula C20H19F3N6 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
PubChem CID71456809
Molecular FormulaC20H19F3N6
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19F3N6/c1-14-13-17(15-3-5-16(6-4-15)20(21,22)23)26-27-18(14)28-9-11-29(12-10-28)19-24-7-2-8-25-19/h2-8,13H,9-12H2,1H3
InChIKeyAJOJMYYGNCORHX-UHFFFAOYSA-N
XLogP3.59
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine (CID 71456809) is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine is Cc1cc(-c2ccc(C(F)(F)F)cc2)nnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is AJOJMYYGNCORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6/c1-14-13-17(15-3-5-16(6-4-15)20(21,22)23)26-27-18(14)28-9-11-29(12-10-28)19-24-7-2-8-25-19/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine?
4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 400.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 71456809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).