1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

C13H18F3N5O — CID 122350867

IUPAC1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNc1ccc(N2CCN(C(=O)CC(F)(F)F)CC2)nn1
InChIInChI=1S/C13H18F3N5O/c1-2-17-10-3-4-11(19-18-10)20-5-7-21(8-6-20)12(22)9-13(14,15)16/h3-4H,2,5-9H2,1H3,(H,17,18)
InChIKeyFBBPYUJQOCPDBI-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.51
Rot. Bonds4

About 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 122350867) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID122350867
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNc1ccc(N2CCN(C(=O)CC(F)(F)F)CC2)nn1
InChIInChI=1S/C13H18F3N5O/c1-2-17-10-3-4-11(19-18-10)20-5-7-21(8-6-20)12(22)9-13(14,15)16/h3-4H,2,5-9H2,1H3,(H,17,18)
InChIKeyFBBPYUJQOCPDBI-UHFFFAOYSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one with MolForge

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Related Compounds

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1-{4-[6-(Pyrrolidin-1-YL)pyridazin-3-YL]piperazin-1-YL}propan-1-one
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1-(4-(6-(Diethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
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6-[3-(Trifluoromethyl)piperazin-1-yl]pyridazin-3-amine
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Tert-butyl 4-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)piperazine-1-carboxylate
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Tert-butyl 4-(6-aminopyridazin-3-yl)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 140876609
1-(3-Methylbutyl)-3-[6-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 142680620
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (CID 122350867) is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is CCNc1ccc(N2CCN(C(=O)CC(F)(F)F)CC2)nn1.
What is the InChIKey of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is FBBPYUJQOCPDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c1-2-17-10-3-4-11(19-18-10)20-5-7-21(8-6-20)12(22)9-13(14,15)16/h3-4H,2,5-9H2,1H3,(H,17,18).
What are the key properties of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 317.32 g/mol, XLogP of 1.51, 4 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]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 122350867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).