6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one

C15H20N6O — CID 126913622

IUPAC6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-13-2-3-15(22)21(18-13)11-8-19-6-9-20(10-7-19)14-12-16-4-5-17-14/h2-5,12H,6-11H2,1H3
InChIKeyKOBCBKZUCWQEHY-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.16
Rot. Bonds4

About 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one

6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 126913622) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID126913622
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-13-2-3-15(22)21(18-13)11-8-19-6-9-20(10-7-19)14-12-16-4-5-17-14/h2-5,12H,6-11H2,1H3
InChIKeyKOBCBKZUCWQEHY-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 126913622) is 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is KOBCBKZUCWQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-13-2-3-15(22)21(18-13)11-8-19-6-9-20(10-7-19)14-12-16-4-5-17-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 300.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 126913622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).