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

C14H25N5 — CID 63621118

IUPACN-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(C)C(C)(C)C2)nn1
InChIInChI=1S/C14H25N5/c1-5-15-10-12-6-7-13(17-16-12)19-9-8-18(4)14(2,3)11-19/h6-7,15H,5,8-11H2,1-4H3
InChIKeyATZXXHXVFLUIDP-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.12
Rot. Bonds4

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

N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 63621118) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
PubChem CID63621118
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(C)C(C)(C)C2)nn1
InChIInChI=1S/C14H25N5/c1-5-15-10-12-6-7-13(17-16-12)19-9-8-18(4)14(2,3)11-19/h6-7,15H,5,8-11H2,1-4H3
InChIKeyATZXXHXVFLUIDP-UHFFFAOYSA-N
XLogP1.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine (CID 63621118) is N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(N2CCN(C)C(C)(C)C2)nn1.
What is the InChIKey of N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is ATZXXHXVFLUIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-15-10-12-6-7-13(17-16-12)19-9-8-18(4)14(2,3)11-19/h6-7,15H,5,8-11H2,1-4H3.
What are the key properties of N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 263.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63621118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).