1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

C10H12F3N5O — CID 174490674

IUPAC1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)9(19)18-5-3-17(4-6-18)8-2-1-7(14)15-16-8/h1-2H,3-6H2,(H2,14,15)
InChIKeyJDBGIQQYAAOGTF-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.27
Rot. Bonds1

About 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 174490674) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID174490674
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)9(19)18-5-3-17(4-6-18)8-2-1-7(14)15-16-8/h1-2H,3-6H2,(H2,14,15)
InChIKeyJDBGIQQYAAOGTF-UHFFFAOYSA-N
XLogP0.27
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-[6-(Pyrrolidin-1-YL)pyridazin-3-YL]piperazin-1-YL}propan-1-one
CID 7292325
1-(4-(6-(Diethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 49670213
(2S)-4,4,4-trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)butan-1-one
CID 68641409
4,4,4-Trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)but-2-en-1-one
CID 91054821
4,4,4-Trifluoro-3-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)but-2-en-1-one
CID 91549959
6-[4-(2,2,2-Trifluoroethyl)-1-piperazinyl]-3-pyridazinamine
CID 113522358
6-[4-(Trifluoromethyl)piperidin-1-yl]pyridazin-3-amine
CID 113522367
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-amine
CID 122238900
3-Iodo-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine
CID 124116604
6-[2-(Trifluoromethyl)piperazin-1-yl]pyridazin-3-amine
CID 124116902
6-[3-(Trifluoromethyl)piperazin-1-yl]pyridazin-3-amine
CID 124116911
3-Iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine
CID 134405828

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 174490674) is 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1.
What is the InChIKey of 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is JDBGIQQYAAOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c11-10(12,13)9(19)18-5-3-17(4-6-18)8-2-1-7(14)15-16-8/h1-2H,3-6H2,(H2,14,15).
What are the key properties of 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 275.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 174490674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).