3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one

C11H18N4O2 — CID 121205962

IUPAC3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCOCCN1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O2/c1-17-9-8-14-4-6-15(7-5-14)10-2-3-11(16)13-12-10/h2-3H,4-9H2,1H3,(H,13,16)
InChIKeyRARQVVZUOMWSCI-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.46
Rot. Bonds4

About 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one

3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 121205962) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID121205962
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCOCCN1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O2/c1-17-9-8-14-4-6-15(7-5-14)10-2-3-11(16)13-12-10/h2-3H,4-9H2,1H3,(H,13,16)
InChIKeyRARQVVZUOMWSCI-UHFFFAOYSA-N
XLogP-0.46
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 121205962) is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one is COCCN1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is RARQVVZUOMWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-9-8-14-4-6-15(7-5-14)10-2-3-11(16)13-12-10/h2-3H,4-9H2,1H3,(H,13,16).
What are the key properties of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one?
3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 121205962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).