3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C11H16N4O2 — CID 942772

IUPAC3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O2/c1-2-14-5-7-15(8-6-14)11(17)9-3-4-10(16)13-12-9/h3-4H,2,5-8H2,1H3,(H,13,16)
InChIKeyYGPNQMVWYFSTHP-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.45
Rot. Bonds2

About 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 942772) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID942772
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O2/c1-2-14-5-7-15(8-6-14)11(17)9-3-4-10(16)13-12-9/h3-4H,2,5-8H2,1H3,(H,13,16)
InChIKeyYGPNQMVWYFSTHP-UHFFFAOYSA-N
XLogP-0.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 942772) is 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one is CCN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is YGPNQMVWYFSTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-14-5-7-15(8-6-14)11(17)9-3-4-10(16)13-12-9/h3-4H,2,5-8H2,1H3,(H,13,16).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 942772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).