N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

C14H28N6 — CID 63621508

IUPACN-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCN(C)C(C)(C)C2)nn1
InChIInChI=1S/C14H28N6/c1-5-15-10-13-11-20(17-16-13)9-8-19-7-6-18(4)14(2,3)12-19/h11,15H,5-10,12H2,1-4H3
InChIKeyHPIWZVYGLGTEQX-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.41
Rot. Bonds6

About N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 63621508) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID63621508
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC NameN-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCN(C)C(C)(C)C2)nn1
InChIInChI=1S/C14H28N6/c1-5-15-10-13-11-20(17-16-13)9-8-19-7-6-18(4)14(2,3)12-19/h11,15H,5-10,12H2,1-4H3
InChIKeyHPIWZVYGLGTEQX-UHFFFAOYSA-N
XLogP0.41
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 63621508) is N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCN(C)C(C)(C)C2)nn1.
What is the InChIKey of N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is HPIWZVYGLGTEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-5-15-10-13-11-20(17-16-13)9-8-19-7-6-18(4)14(2,3)12-19/h11,15H,5-10,12H2,1-4H3.
What are the key properties of N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63621508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).