2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine

C11H22N6 — CID 114087137

IUPAC2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine
SMILESCC1CN(C)CCN1Cc1cn(CCN)nn1
InChIInChI=1S/C11H22N6/c1-10-7-15(2)5-6-16(10)8-11-9-17(4-3-12)14-13-11/h9-10H,3-8,12H2,1-2H3
InChIKeyFOCZDOQAMJYEDA-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.63
Rot. Bonds4

About 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine

2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine (PubChem CID 114087137) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine
PubChem CID114087137
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine
SMILESCC1CN(C)CCN1Cc1cn(CCN)nn1
InChIInChI=1S/C11H22N6/c1-10-7-15(2)5-6-16(10)8-11-9-17(4-3-12)14-13-11/h9-10H,3-8,12H2,1-2H3
InChIKeyFOCZDOQAMJYEDA-UHFFFAOYSA-N
XLogP-0.63
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
CID 63621831
1-[6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 114087777
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
CID 134555297
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63621483
7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056261
2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine (CID 114087137) is 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine is CC1CN(C)CCN1Cc1cn(CCN)nn1.
What is the InChIKey of 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine?
The InChIKey is FOCZDOQAMJYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-10-7-15(2)5-6-16(10)8-11-9-17(4-3-12)14-13-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine?
2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine has a molecular weight of 238.34 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylpiperazin-1-yl)methyl]triazol-1-yl]ethanamine is sourced from PubChem (CID 114087137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).