2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one

C19H21F3N4O2 — CID 42162110

IUPAC2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21F3N4O2/c1-2-8-26-17(27)7-6-16(23-26)18(28)25-11-9-24(10-12-25)15-5-3-4-14(13-15)19(20,21)22/h3-7,13H,2,8-12H2,1H3
InChIKeyMVCDFGAURJBIKL-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.63
Rot. Bonds4

About 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one

2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 42162110) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID42162110
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21F3N4O2/c1-2-8-26-17(27)7-6-16(23-26)18(28)25-11-9-24(10-12-25)15-5-3-4-14(13-15)19(20,21)22/h3-7,13H,2,8-12H2,1H3
InChIKeyMVCDFGAURJBIKL-UHFFFAOYSA-N
XLogP2.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]triazolo[4,3-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146079038
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44822876
imidazo[1,2-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146075154
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one
CID 16884528
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one (CID 42162110) is 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one is CCCn1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1=O.
What is the InChIKey of 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is MVCDFGAURJBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-2-8-26-17(27)7-6-16(23-26)18(28)25-11-9-24(10-12-25)15-5-3-4-14(13-15)19(20,21)22/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one?
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 394.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 42162110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).