2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione

C13H20N4O3 — CID 167802834

IUPAC2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESCCCN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-2-5-15-6-8-16(9-7-15)13(20)10-17-12(19)4-3-11(18)14-17/h3-4H,2,5-10H2,1H3,(H,14,18)
InChIKeyJPYRKBZAGSEAPQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.91
Rot. Bonds4

About 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione

2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 167802834) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
PubChem CID167802834
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESCCCN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-2-5-15-6-8-16(9-7-15)13(20)10-17-12(19)4-3-11(18)14-17/h3-4H,2,5-10H2,1H3,(H,14,18)
InChIKeyJPYRKBZAGSEAPQ-UHFFFAOYSA-N
XLogP-0.91
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-enamide
CID 153802612
(E)-4-(dimethylamino)-1-[4-(methylamino)piperazin-1-yl]but-2-en-1-one
CID 156062314
N-[4-(2-methylpropanoyl)piperazin-1-yl]prop-2-enamide
CID 176637329
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
CID 3809948
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
CID 5095960
N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 43243633
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43416271
2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521218

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione (CID 167802834) is 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione is CCCN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is JPYRKBZAGSEAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-5-15-6-8-16(9-7-15)13(20)10-17-12(19)4-3-11(18)14-17/h3-4H,2,5-10H2,1H3,(H,14,18).
What are the key properties of 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 280.33 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 167802834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).