4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

C17H19F3N4O — CID 138483787

IUPAC4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1N1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O/c1-12-10-21-22-16(25)15(12)24-8-6-23(7-9-24)11-13-4-2-3-5-14(13)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,22,25)
InChIKeyPFASXTPAUHOORG-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483787) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483787
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1N1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O/c1-12-10-21-22-16(25)15(12)24-8-6-23(7-9-24)11-13-4-2-3-5-14(13)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,22,25)
InChIKeyPFASXTPAUHOORG-UHFFFAOYSA-N
XLogP2.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
5-bromo-4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 138471822
(4-methylpyrazol-1-yl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 130187640
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
1-(4-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 55830213
4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483613
6-methyl-12-[[2-(trifluoromethyl)phenyl]methyl]-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92564012
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
3-methyl-8-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylquinoline
CID 37089838
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138483787) is 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cn[nH]c(=O)c1N1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is PFASXTPAUHOORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-12-10-21-22-16(25)15(12)24-8-6-23(7-9-24)11-13-4-2-3-5-14(13)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,22,25).
What are the key properties of 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 352.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).