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

C17H24F3N5O — CID 122335029

IUPAC1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C17H24F3N5O/c18-17(19,20)13-16(26)25-11-9-24(10-12-25)15-6-5-14(21-22-15)23-7-3-1-2-4-8-23/h5-6H,1-4,7-13H2
InChIKeyAXXFRVLCKBITIU-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.46
Rot. Bonds3

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

1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 122335029) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID122335029
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1
InChIInChI=1S/C17H24F3N5O/c18-17(19,20)13-16(26)25-11-9-24(10-12-25)15-6-5-14(21-22-15)23-7-3-1-2-4-8-23/h5-6H,1-4,7-13H2
InChIKeyAXXFRVLCKBITIU-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43462000
3,3,3-trifluoro-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122339575
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121086814
4-(6-piperidin-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122334838
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
2-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122334965
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (CID 122335029) is 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is AXXFRVLCKBITIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O/c18-17(19,20)13-16(26)25-11-9-24(10-12-25)15-6-5-14(21-22-15)23-7-3-1-2-4-8-23/h5-6H,1-4,7-13H2.
What are the key properties of 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 371.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 122335029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).