2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one

C14H19F3N4O2 — CID 163346709

IUPAC2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCC(C)n1nc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H19F3N4O2/c1-10(2)21-12(22)4-3-11(18-21)13(23)20-7-5-19(6-8-20)9-14(15,16)17/h3-4,10H,5-9H2,1-2H3
InChIKeyMNMZNMGEAJEWLG-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.14
Rot. Bonds3

About 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one

2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 163346709) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID163346709
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCC(C)n1nc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H19F3N4O2/c1-10(2)21-12(22)4-3-11(18-21)13(23)20-7-5-19(6-8-20)9-14(15,16)17/h3-4,10H,5-9H2,1-2H3
InChIKeyMNMZNMGEAJEWLG-UHFFFAOYSA-N
XLogP1.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-Dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 71877280
N-cyclobutyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 132383259
(3S,5R)-3,5-dimethyl-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 138019267
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
2-Butyl-6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyridazin-3-one
CID 48425171
6-oxo-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 53510708
2-Methyl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one
CID 60359909
2-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71967602
2-[2-(Diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 86785752
1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
CID 86833465
2-methyl-6-(2-(trifluoromethyl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 92092426

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one (CID 163346709) is 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one is CC(C)n1nc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is MNMZNMGEAJEWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-10(2)21-12(22)4-3-11(18-21)13(23)20-7-5-19(6-8-20)9-14(15,16)17/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one?
2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 332.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 163346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).