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

C14H28N6 — CID 63620813

IUPACN-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCN(C)C(CC)C2)nn1
InChIInChI=1S/C14H28N6/c1-4-14-12-19(7-6-18(14)3)8-9-20-11-13(16-17-20)10-15-5-2/h11,14-15H,4-10,12H2,1-3H3
InChIKeyQUKLUZSJOUJTON-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.41
Rot. Bonds7

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

N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 63620813) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID63620813
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC NameN-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCN(C)C(CC)C2)nn1
InChIInChI=1S/C14H28N6/c1-4-14-12-19(7-6-18(14)3)8-9-20-11-13(16-17-20)10-15-5-2/h11,14-15H,4-10,12H2,1-3H3
InChIKeyQUKLUZSJOUJTON-UHFFFAOYSA-N
XLogP0.41
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 63620813) is N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCN(C)C(CC)C2)nn1.
What is the InChIKey of N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is QUKLUZSJOUJTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-4-14-12-19(7-6-18(14)3)8-9-20-11-13(16-17-20)10-15-5-2/h11,14-15H,4-10,12H2,1-3H3.
What are the key properties of N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63620813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).