1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C15H23N5O — CID 7292325

IUPAC1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C15H23N5O/c1-2-15(21)20-11-9-19(10-12-20)14-6-5-13(16-17-14)18-7-3-4-8-18/h5-6H,2-4,7-12H2,1H3
InChIKeyJJTHENUEFBCTHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 7292325) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID7292325
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C15H23N5O/c1-2-15(21)20-11-9-19(10-12-20)14-6-5-13(16-17-14)18-7-3-4-8-18/h5-6H,2-4,7-12H2,1H3
InChIKeyJJTHENUEFBCTHJ-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 44374348
1-[8-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 44374510
1-(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 71807512
1-[4-(1-Pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110257965
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
CID 118740209
4-Acetyl-1-(6-chloropyridazin-3-yl)piperazin-2-one
CID 118740526
1-(6-Chloropyridazin-3-yl)-4-(pyrrolidine-1-carbonyl)piperazin-2-one
CID 118740530
1-(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292459
2-Methyl-1-(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292461
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 53062276
Sdccgsbi-0662499.P001
CID 134792450
1-(6-Chloropyridazin-3-yl)-4-(2-methylpropyl)piperazin-2-one
CID 134794651

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 7292325) is 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JJTHENUEFBCTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-15(21)20-11-9-19(10-12-20)14-6-5-13(16-17-14)18-7-3-4-8-18/h5-6H,2-4,7-12H2,1H3.
What are the key properties of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 289.38 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 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 7292325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).