1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

C15H21N5O2 — CID 110257965

IUPAC1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1
InChIInChI=1S/C15H21N5O2/c1-12(21)18-7-9-19(10-8-18)15(22)13-4-6-20(11-13)14-3-2-5-16-17-14/h2-3,5,13H,4,6-11H2,1H3
InChIKeyKTWFLLPWSCFLTB-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.01
Rot. Bonds2

About 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110257965) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110257965
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1
InChIInChI=1S/C15H21N5O2/c1-12(21)18-7-9-19(10-8-18)15(22)13-4-6-20(11-13)14-3-2-5-16-17-14/h2-3,5,13H,4,6-11H2,1H3
InChIKeyKTWFLLPWSCFLTB-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (CID 110257965) is 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCN(c3cccnn3)C2)CC1.
What is the InChIKey of 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KTWFLLPWSCFLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12(21)18-7-9-19(10-8-18)15(22)13-4-6-20(11-13)14-3-2-5-16-17-14/h2-3,5,13H,4,6-11H2,1H3.
What are the key properties of 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 303.37 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110257965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).