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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Related Compounds

N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63620813
N-[[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63163164
N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906588
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63024466
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 63621118
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 63619652

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).