[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate

C11H16N4O2 — CID 174584342

IUPAC[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate
SMILESCC(=O)Oc1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C11H16N4O2/c1-9(16)17-11-4-3-10(12-13-11)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyAYYBZDRZKJBFDG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.15
Rot. Bonds2

About [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate (PubChem CID 174584342) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate
PubChem CID174584342
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate
SMILESCC(=O)Oc1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C11H16N4O2/c1-9(16)17-11-4-3-10(12-13-11)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyAYYBZDRZKJBFDG-UHFFFAOYSA-N
XLogP0.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate?
The IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate (CID 174584342) is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate is CC(=O)Oc1ccc(N2CCN(C)CC2)nn1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate?
The InChIKey is AYYBZDRZKJBFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(16)17-11-4-3-10(12-13-11)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3.
What are the key properties of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate?
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate has a molecular weight of 236.27 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl] acetate is sourced from PubChem (CID 174584342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).