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

C12H16F3N5O — CID 174597679

IUPAC1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C12H16F3N5O/c1-2-16-9-3-4-10(18-17-9)19-5-7-20(8-6-19)11(21)12(13,14)15/h3-4H,2,5-8H2,1H3,(H,16,17)
InChIKeyCTEIXCFBDWLKNE-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.12
Rot. Bonds3

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

1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 174597679) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID174597679
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C12H16F3N5O/c1-2-16-9-3-4-10(18-17-9)19-5-7-20(8-6-19)11(21)12(13,14)15/h3-4H,2,5-8H2,1H3,(H,16,17)
InChIKeyCTEIXCFBDWLKNE-UHFFFAOYSA-N
XLogP1.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (CID 174597679) is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is CCNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)nn1.
What is the InChIKey of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is CTEIXCFBDWLKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-2-16-9-3-4-10(18-17-9)19-5-7-20(8-6-19)11(21)12(13,14)15/h3-4H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 303.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 174597679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).