4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C12H20N4O2 — CID 12550759

IUPAC4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCOc1c(N2CCN(C)CC2)cnn(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-18-11-10(9-13-15(3)12(11)17)16-7-5-14(2)6-8-16/h9H,4-8H2,1-3H3
InChIKeyOPPKYJQGROYYRM-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.07
Rot. Bonds3

About 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one

4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 12550759) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID12550759
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCOc1c(N2CCN(C)CC2)cnn(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-4-18-11-10(9-13-15(3)12(11)17)16-7-5-14(2)6-8-16/h9H,4-8H2,1-3H3
InChIKeyOPPKYJQGROYYRM-UHFFFAOYSA-N
XLogP-0.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 12550759) is 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CCOc1c(N2CCN(C)CC2)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is OPPKYJQGROYYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-11-10(9-13-15(3)12(11)17)16-7-5-14(2)6-8-16/h9H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 12550759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).