6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

C14H22N4O3 — CID 71877280

IUPAC6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCN(C)CC2C)ccc1=O
InChIInChI=1S/C14H22N4O3/c1-11-10-16(2)6-7-17(11)14(20)12-4-5-13(19)18(15-12)8-9-21-3/h4-5,11H,6-10H2,1-3H3
InChIKeyXMWIYIYLTKNYFZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.33
Rot. Bonds4

About 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 71877280) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID71877280
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCN(C)CC2C)ccc1=O
InChIInChI=1S/C14H22N4O3/c1-11-10-16(2)6-7-17(11)14(20)12-4-5-13(19)18(15-12)8-9-21-3/h4-5,11H,6-10H2,1-3H3
InChIKeyXMWIYIYLTKNYFZ-UHFFFAOYSA-N
XLogP-0.33
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (CID 71877280) is 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(=O)N2CCN(C)CC2C)ccc1=O.
What is the InChIKey of 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is XMWIYIYLTKNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-10-16(2)6-7-17(11)14(20)12-4-5-13(19)18(15-12)8-9-21-3/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 294.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 71877280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).