N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine

C13H23N5 — CID 62279640

IUPACN-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(CC)CC2)nn1
InChIInChI=1S/C13H23N5/c1-3-14-11-12-5-6-13(16-15-12)18-9-7-17(4-2)8-10-18/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyQOUKCQXJFXDXDU-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds5

About N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine

N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 62279640) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
PubChem CID62279640
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(CC)CC2)nn1
InChIInChI=1S/C13H23N5/c1-3-14-11-12-5-6-13(16-15-12)18-9-7-17(4-2)8-10-18/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyQOUKCQXJFXDXDU-UHFFFAOYSA-N
XLogP0.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine (CID 62279640) is N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(N2CCN(CC)CC2)nn1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is QOUKCQXJFXDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-14-11-12-5-6-13(16-15-12)18-9-7-17(4-2)8-10-18/h5-6,14H,3-4,7-11H2,1-2H3.
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62279640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).